
     RDKit          3D

 50 52  0  0  0  0  0  0  0  0999 V2000
   -2.4319   -1.9620   -2.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826   -1.1918   -0.9796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1839   -1.9147    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596   -2.5269    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0739   -2.0632    1.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2984   -0.5457    1.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380   -0.0308    0.6737 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6339    0.1367    1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716    0.2873    2.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.1694   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662    1.2697   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5775    1.3350   -1.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7352    0.2979   -1.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870   -0.8110   -1.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8701   -0.8866   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713   -2.3349   -0.8888 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7279    0.4409   -0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.8753   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6155    2.1571    0.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973    1.9704    0.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5217    2.7012    1.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8515    2.5616    2.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6888    1.6761    1.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3594    1.4928    2.1002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1969    0.9357    0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8615    1.0694    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4677    0.2527   -1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3297    0.8268   -2.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784   -1.6787   -2.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -1.7549   -2.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3731   -3.0538   -2.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4149   -1.2754    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9308   -2.7368    0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1844   -2.3701   -0.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -3.6308    0.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -2.5740    1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4461   -2.3993    2.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -0.3170    2.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6666   -0.0308    1.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538    2.0850    0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2394    2.1909   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5199    0.3497   -2.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0266   -1.6170   -2.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -0.2485   -1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5219    0.4113   -1.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3735    2.1312   -1.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    2.5585   -0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810    3.3809    2.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2268    3.1375    3.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8629    0.2532    0.0066 H   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  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
  7 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27  2  1  0
 15 10  1  0
 26 20  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  0
  3 33  1  0
  4 34  1  0
  4 35  1  0
  5 36  1  0
  5 37  1  0
  6 38  1  0
  6 39  1  0
 11 40  1  0
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 14 43  1  0
 17 44  1  0
 17 45  1  0
 18 46  1  0
 18 47  1  0
 21 48  1  0
 22 49  1  0
 25 50  1  0
M  END
$$$$
