
     RDKit          3D

 70 72  0  0  0  0  0  0  0  0999 V2000
    3.6866   -0.6576   -1.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4658   -0.0575   -0.4609 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1418    1.0759    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1653    1.6946   -0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8467    2.7987   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5197    3.2995    1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5047    2.7022    1.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7975    1.5985    1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7259    0.9875    2.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8896    0.9049    3.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5094    0.4846    1.5208 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -0.7217    2.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5148   -1.9698    1.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848   -3.2840    1.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844   -3.4688    1.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480   -3.4408    0.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361   -3.3710   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1301   -3.5554   -1.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610   -3.1446    0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0582   -4.2646    0.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1590   -4.1550    1.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1311   -5.5693    1.7314 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4765   -2.9236    1.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7066   -1.7971    1.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -1.8791    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287   -0.6779    0.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1477   -0.3918   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100    1.1281   -0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    1.5218   -2.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135    3.0439   -2.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4412    3.8099   -2.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2659    3.3111   -3.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6817    1.8602    0.3293 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814    1.9173    0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381    2.6495    1.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362    1.2042    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0017   -1.5230   -1.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4747    0.0748   -2.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340   -1.0207   -1.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4492    1.3233   -1.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6334    3.2660   -0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0517    4.1552    1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607    3.1114    2.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9735   -0.7465    3.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2100   -0.7010    1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486   -1.9074    0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945   -1.9826    1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546   -3.3276    3.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782   -4.1352    1.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438   -4.4490    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -2.6856    2.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855   -3.5762   -0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8016   -5.2336    0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3230   -2.8367    2.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9725   -0.8441    2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203   -0.8587   -1.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1331   -0.8117   -0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1697    1.4125   -1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991    1.1406   -3.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3537    1.0072   -2.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5461    3.4355   -1.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2518    4.8855   -2.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979    3.7497   -1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0739    3.3964   -3.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629    4.3976   -3.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7900    2.9546   -4.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7110    2.7876   -3.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238    2.4349    0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6033    0.4777   -0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036    1.9665   -0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 28 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
  8  3  1  0
 36 11  1  0
 25 19  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  4 40  1  0
  5 41  1  0
  6 42  1  0
  7 43  1  0
 12 44  1  0
 12 45  1  0
 13 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 16 52  1  0
 20 53  1  0
 23 54  1  0
 24 55  1  0
 27 56  1  0
 27 57  1  0
 28 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 31 63  1  0
 31 64  1  0
 32 65  1  0
 32 66  1  0
 32 67  1  0
 33 68  1  0
 36 69  1  0
 36 70  1  0
M  END
$$$$
