
     RDKit          3D

 89 93  0  0  0  0  0  0  0  0999 V2000
   10.8305    0.6663    2.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9499   -0.5867    1.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7692   -1.8090    1.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7658   -0.3570    1.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9496   -0.1473   -0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8515    0.0641   -1.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531    0.0930   -0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390    0.2806   -1.5458 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822    1.0647   -1.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2937    1.8195   -0.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    1.0541   -2.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8808    0.4337   -1.5132 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0716   -0.9897   -1.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753   -1.5535   -0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066   -0.7108   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8911   -0.8293   -1.9191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612   -0.9122   -2.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -0.8228   -3.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -1.1222   -1.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0964   -2.4875   -1.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2580   -2.7214   -0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0256   -3.0543    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1005   -3.2198    1.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4117   -3.0534    1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6518   -2.7184   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5795   -2.5518   -1.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4077   -0.0422   -1.6173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2035    1.2343   -1.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2665    1.9627   -1.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0348    1.6750    0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4824    1.0284    1.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0124    0.6642    1.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268    1.5534    1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830    1.1348    1.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    0.7925   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270    1.1943   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0175    3.2409    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3751    3.7999    0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4433    3.5106   -0.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3187    2.2539   -0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5169    1.2141    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3627   -0.1225    0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4604   -0.3401    1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268    1.5297    2.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6617    0.5032    2.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2656    0.9178    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5844   -0.7981    2.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655   -1.6295    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5559   -2.0262    2.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1121   -2.7014    1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9428   -0.1440   -0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0148    0.2194   -2.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260   -0.0836   -2.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    2.0990   -2.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3208    0.5136   -3.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982   -1.1388   -0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758   -1.5738   -2.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433   -1.5684    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -2.6065   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1335   -1.1588    0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876   -0.7028   -2.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251   -1.1300   -0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3454   -3.2942   -1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4335   -2.5522   -2.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0123   -3.1732    0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9181   -3.4720    2.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2419   -3.1838    1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6690   -2.5807   -0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7800   -2.2790   -2.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -0.1061   -2.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0229    0.0784    1.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7021    1.6798    2.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7516   -0.3736    1.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2532    2.6023    1.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119    1.9935    1.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800    0.2830    1.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7520    1.4239   -0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3712    2.2881   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254    0.9938    0.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322    3.5975    1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8072    3.7139   -0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2900    4.9036    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6225    3.4128    1.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3383    1.8508   -0.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8549    2.4084   -1.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0182    1.1036    1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5937    0.2218   -0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3639   -0.1408    1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2898   -0.5034    2.6120 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  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  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 19 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 30 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
  7 42  1  0
 42 43  2  0
 43  4  1  0
 36 12  1  0
 35 15  1  0
 26 21  1  0
 41 30  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  0
  3 48  1  0
  3 49  1  0
  3 50  1  0
  5 51  1  0
  6 52  1  0
  8 53  1  0
 11 54  1  0
 11 55  1  0
 13 56  1  0
 13 57  1  0
 14 58  1  0
 14 59  1  0
 15 60  1  0
 16 61  1  0
 19 62  1  0
 20 63  1  0
 20 64  1  0
 22 65  1  0
 23 66  1  0
 24 67  1  0
 25 68  1  0
 26 69  1  0
 27 70  1  0
 31 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 34 75  1  0
 34 76  1  0
 35 77  1  0
 36 78  1  0
 36 79  1  0
 37 80  1  0
 37 81  1  0
 38 82  1  0
 38 83  1  0
 40 84  1  0
 40 85  1  0
 41 86  1  0
 41 87  1  0
 42 88  1  0
 43 89  1  0
M  END
$$$$
