
     RDKit          3D

 53 54  0  0  0  0  0  0  0  0999 V2000
    5.6834    0.4024    1.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3196   -0.8402    1.3412 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497   -0.9227   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -0.4189   -0.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508   -1.1135   -0.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2984   -2.3692   -0.8350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1734   -0.3812   -0.3258 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4249   -0.8521    0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059   -2.1105    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143   -2.3002    1.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308   -1.4493    1.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3405   -1.8418   -0.2845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5912   -1.3895   -0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0968   -2.0249   -1.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3353   -0.2331   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833   -0.4170    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4653    0.6647    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1449    0.4170    0.9190 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9165    1.9457    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.1484    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7693    1.0604   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    1.2232   -0.5832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7032    2.4607   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2193    2.2347   -0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4239    1.1750   -1.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    0.9541   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2876    0.4522    2.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    1.2503    1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7892    0.5064    1.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9553   -1.9904   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062   -0.3814   -0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9862   -0.6117   -2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5685    0.6783   -0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633   -0.0517    1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341   -1.0808    1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2647   -2.9975    0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -2.0875   -0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3313   -2.0581    2.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -3.3704    1.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5492   -0.3802    1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6328   -1.5937    1.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843   -2.6353   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1290   -1.4036    0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5258    2.7895    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2122    3.1617    0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8384    2.9245   -1.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623    3.1645    0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152    3.2013   -0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1151    1.9392    0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1387    0.2203   -1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481    1.5270   -2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950    1.0783   -1.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2853    1.7268   -0.1882 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  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26  7  1  0
 21 15  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 11 41  1  0
 12 42  1  0
 16 43  1  0
 19 44  1  0
 20 45  1  0
 23 46  1  0
 23 47  1  0
 24 48  1  0
 24 49  1  0
 25 50  1  0
 25 51  1  0
 26 52  1  0
 26 53  1  0
M  END
$$$$
