
     RDKit          2D

 82 87  0  0  0  0  0  0  0  0999 V2000
    9.6124    6.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    5.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0636    5.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868    6.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    4.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4348    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047    2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060    1.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060   -1.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047   -2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4348   -3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2662   -4.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4963   -5.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277   -6.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950   -6.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0636   -5.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4623   -6.0645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6924   -7.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6309   -5.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -4.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021   -3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164   -2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4986   -2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822   -4.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -3.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766   -4.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150   -5.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170   -3.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597   -3.2572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3637   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703   -2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7456   -2.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4866    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9851    2.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0092    3.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5077    4.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9822    5.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4807    6.6846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5048    7.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0303    7.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0033    9.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0274   10.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5259   11.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   12.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0485   14.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5230   14.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4989   13.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0004   12.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9763   10.9287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.4778    9.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4537    8.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9552    6.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9282    8.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9041    7.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4056    6.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3815    4.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8560    5.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3545    6.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3786    7.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9581    4.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4596    2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703    2.1487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    3.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3637    4.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    3.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5275    5.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    6.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9822    5.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766    4.0642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193    3.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880    4.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164    2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895    3.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2662    4.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4963    5.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277    6.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    6.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1251    7.9453    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  0
  6  7  1  6
  8  7  1  1
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  1
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  0
 18 19  1  1
 19 20  1  0
 19 21  1  0
 18 22  1  0
 22 23  1  6
 11 24  1  0
 24 25  1  1
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  1
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  1
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 45 54  1  0
 54 55  1  0
 55 56  2  0
 55 57  1  0
 57 58  1  0
 58 59  2  0
 59 60  1  0
 60 61  2  0
 61 62  1  0
 62 63  2  0
 41 64  1  0
 64 65  2  0
 36 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  6
 70 71  1  0
 70 72  1  0
 69 73  1  0
 73 74  1  0
 74 75  2  0
 74 76  1  0
 76 77  1  6
  6 78  1  0
 78 79  1  0
 79 80  1  1
 79 81  1  0
 81 82  1  6
 81  3  1  0
 76  8  1  0
 22 13  1  0
 65 38  1  0
 52 47  1  0
 63 58  1  0
M  END
