
     RDKit          2D

 45 50  0  0  0  0  0  0  0  0999 V2000
    1.3136  -13.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4967  -12.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0342  -11.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831  -10.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5438  -11.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713   -9.2159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3202   -8.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084   -7.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478   -6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084   -5.2575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0967   -3.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967   -3.8086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084   -2.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0075   -1.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0075   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3065    0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3065    2.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0075    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    2.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1989   -0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1989    0.5892    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
   -0.3107   -2.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989   -3.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107   -5.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1989   -6.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107   -8.1553    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 O   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
   -0.1315  -10.1091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895  -10.9260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013  -12.3749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9453  -13.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4268  -13.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708  -14.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332  -15.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7772  -17.0378    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517  -16.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077  -14.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 13 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 24 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  3 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 38  2  1  0
 45 39  1  0
 30  6  1  0
 29  9  1  0
 20 15  1  0
 35 24  1  0
M  END
