
     RDKit          3D

 77 80  0  0  0  0  0  0  0  0999 V2000
   -6.6203   -1.0909   -2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2828   -1.8173   -2.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2717   -3.1289   -2.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0468   -0.9519   -2.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5415    0.0929   -1.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5230    1.1522   -1.1865 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2115    2.3183   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4251    3.4607   -0.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7418    2.2095    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4880    1.4248    1.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1605    1.3818    3.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1200    0.4114    4.3518 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928    2.1389    3.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3495    2.9390    2.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6544    2.9754    1.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8751    3.8049    0.6646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1628    3.3546   -0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1397    2.3162   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    1.3921   -1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974    0.3563   -0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8105   -0.9369    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360   -0.7562    1.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144   -1.4984    2.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088   -1.5165    1.4135 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -1.4955    2.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7470   -2.0272    3.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589   -0.7630    1.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4232    0.1783    2.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5121    0.8664    1.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1229    1.7004    2.4614 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9100    0.6341    0.4430 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0673    1.3502   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2802   -0.3357   -0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799   -0.6118   -1.4604 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2253   -1.0232    0.2238 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1831   -1.9043    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156   -2.1229   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557   -1.3212   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635   -0.4083    0.1922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0336   -0.5461   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8106   -1.1667    0.5906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6885   -0.7083   -3.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4706   -1.7866   -2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7578   -0.2619   -1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2449   -2.1075   -1.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1517   -3.7532   -2.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3539   -3.7108   -2.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2981   -2.9154   -3.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1853   -1.6296   -2.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2522   -0.4334   -3.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6720    0.5845   -1.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2586    1.3096   -1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3487    0.8708    1.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8467    2.1207    4.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315    3.5344    3.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6376    4.2228   -0.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588    2.9587   -1.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3142    2.3471    0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851    1.4045   -2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7049    0.0647   -1.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1455    0.8408   -0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127    0.3212    1.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259   -1.1265    2.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -2.5499    2.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389   -1.0027    3.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0912    0.3857    3.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375    1.5267   -1.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9899    0.7537    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1965    2.3537    0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8112   -1.7872   -0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187   -1.1105   -0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7370   -2.8544   -0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659   -3.0731    0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6594   -2.2663   -1.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877   -2.3498    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395   -1.3452   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4703    0.1367    1.0614 H   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  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 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
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 33 35  1  0
 24 36  1  0
 36 37  1  0
 21 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40  5  1  0
 15  9  1  0
 37 21  1  0
 35 27  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  0
  6 52  1  0
 10 53  1  0
 13 54  1  0
 14 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 22 62  1  0
 22 63  1  0
 23 64  1  0
 23 65  1  0
 28 66  1  0
 32 67  1  0
 32 68  1  0
 32 69  1  0
 35 70  1  0
 36 71  1  0
 36 72  1  0
 37 73  1  0
 37 74  1  0
 38 75  1  0
 38 76  1  0
 39 77  1  0
M  END
$$$$
