
     RDKit          2D

 49 52  0  0  0  0  0  0  0  0999 V2000
   -5.2256   -9.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7603   -9.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3056  -10.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498   -8.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4745   -9.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -9.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000  -10.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745   -9.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0163  -10.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986  -10.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0404  -12.1447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4390   -9.5774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498   -8.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6537   -7.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9965   -7.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642   -5.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9258   -4.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3686   -3.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344   -2.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4454   -4.8279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8882   -4.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9650   -5.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5992   -6.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6760   -7.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1188   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1956   -8.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8298  -10.0489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3870  -10.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212  -11.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0980  -12.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5408  -12.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9066  -11.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4846   -6.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4078   -5.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572   -2.8514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487   -1.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9384   -0.5656    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
   -2.1487   -1.8409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2572   -2.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9258   -4.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0642   -5.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6537   -7.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9965   -7.7991    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
 10 12  2  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 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  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 25 33  1  0
 33 34  2  0
 17 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 48  4  1  0
 34 22  1  0
 43 38  1  0
 32 27  1  0
M  END
