
     RDKit          2D

 57 62  0  0  0  0  0  0  0  0999 V2000
   -3.1874    7.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    6.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3928    5.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8209    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2814    4.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1467    4.7332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581    3.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    2.2596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    4.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545    5.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6545    5.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1132    4.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    3.2988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    1.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    1.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1883    1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4898    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7863    1.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7813   -0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0778   -1.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3794   -0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3844    1.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1833   -0.4555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817   -1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852   -0.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767   -2.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752   -3.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702   -4.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -5.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8617   -7.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1582   -7.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4597   -7.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4648   -5.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682   -4.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1732   -3.4555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5982    2.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868    1.8008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0263    2.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3431    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7712    0.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2395   -1.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7395   -0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1982    0.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9818    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9768    2.8103    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.2733    3.5646    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   -8.5698    4.3189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6252   -2.2060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1165   -2.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0022   -3.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4934   -3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3967   -4.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2824   -5.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9054   -4.7890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0197   -3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5284   -3.7402    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  1
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  9  7  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
  5 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 41 40  1  1
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  6
 46 47  1  0
 47 48  3  0
 43 49  1  1
 49 50  1  0
 50 51  2  0
 51 52  1  0
 51 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  2  0
 13  9  1  0
 23 18  1  0
 36 27  1  0
 45 41  1  0
 56 49  1  0
 35 30  1  0
M  CHG  2  46  -1  47   1
M  END
$$$$
