
     RDKit          3D

 84 88  0  0  0  0  0  0  0  0999 V2000
    1.5439   -1.8154   -0.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300   -0.9604   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2624   -0.6775 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2726   -2.5768   -0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2106   -2.7801    1.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6459   -2.9467    1.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5287   -2.4202    0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7521   -2.6962   -0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    0.4209   -0.9535 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9755    1.3941    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9907    2.8688   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784    3.8019    0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0745    5.2881    0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7819    5.6121    0.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4175    5.4286    0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4941    5.5279    2.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6701    5.1711    2.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7559    4.6670    2.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6954    4.5786    0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5541    5.0624    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795    3.8501   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2570    2.6172   -0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200    2.9511   -2.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8808    2.2349   -2.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3658    1.8654   -1.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2266    1.7524   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286    2.2641    0.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210    0.3517    0.1145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773   -0.5744    0.0720 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6935   -2.0202    0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9738   -2.5424   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0173   -4.0112   -0.4416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1294   -4.4984   -1.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2557   -6.0298   -1.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2529   -6.5625   -0.8094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9290   -6.2835    0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8309   -4.7678    0.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864   -0.4989   -1.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0354   -1.1709   -2.2481 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4796    0.4369   -1.5370 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3762   -0.5182   -1.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6927   -3.3702   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6122   -3.6852    1.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7491   -1.9055    1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622   -4.0259    1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8221   -2.3895    2.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181   -2.9260    0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6715   -1.3218    0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616   -3.7377   -1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540   -2.0029   -1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5321    0.7838   -1.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1628    1.2236    0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9354    1.1905    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0431    3.1084   -0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271    3.0338   -0.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225    3.5653    1.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826    3.6230    1.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8371    5.5228   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    5.9207    1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    5.8563    2.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209    5.2360    3.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6302    4.3202    2.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4783    5.0073   -1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5644    3.4939    0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2812    4.5763   -0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409    2.5084   -2.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8912    4.0283   -2.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3824    2.2865   -1.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3591    0.7598   -1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701    0.0191    0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5491   -0.2584    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685   -2.0566    1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8322   -2.6878    0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145   -2.0520   -1.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8585   -2.2451    0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666   -4.2453   -1.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130   -4.0162   -2.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5287   -6.2729   -2.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2749   -6.5229   -1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9798   -6.7933    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7248   -6.7179    1.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380   -4.5552    1.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6165   -4.4740    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788    0.9893   -2.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  2  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 22 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 29 38  1  0
 38 39  2  0
 38 40  1  0
  8  4  1  0
 40  9  1  0
 20 15  1  0
 25 22  1  0
 37 32  1  0
  3 41  1  0
  4 42  1  0
  5 43  1  0
  5 44  1  0
  6 45  1  0
  6 46  1  0
  7 47  1  0
  7 48  1  0
  8 49  1  0
  8 50  1  0
  9 51  1  6
 10 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 12 56  1  0
 12 57  1  0
 13 58  1  0
 13 59  1  0
 16 60  1  0
 17 61  1  0
 18 62  1  0
 20 63  1  0
 21 64  1  0
 21 65  1  0
 23 66  1  0
 23 67  1  0
 25 68  1  0
 25 69  1  0
 28 70  1  0
 29 71  1  1
 30 72  1  0
 30 73  1  0
 31 74  1  0
 31 75  1  0
 33 76  1  0
 33 77  1  0
 34 78  1  0
 34 79  1  0
 36 80  1  0
 36 81  1  0
 37 82  1  0
 37 83  1  0
 40 84  1  0
M  END
$$$$
