
     RDKit          3D

 50 53  0  0  0  0  0  0  0  0999 V2000
   -2.8024   -1.6170    2.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5955   -0.5483    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1339    0.6818    1.8029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7220    1.3909    0.7634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417    2.7672    0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038    0.6425   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8302   -0.6289    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570   -1.7337    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -3.0850    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4048   -4.0356   -0.1505 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450   -3.7065   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7718   -4.7370   -0.9302 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1984   -2.3528   -0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -1.4221   -0.3342 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4899   -1.9503   -1.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913   -0.5763   -1.1922 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4576   -0.0846   -2.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4804    0.2498    0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0289   -0.2101    1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5522    0.2391    2.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849   -0.2437    3.6406 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    1.1580    2.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691    1.6639    1.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4442    1.2442    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    2.0207   -1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991    2.6878   -1.7101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527    2.1963   -1.3195 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757    3.4814   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754    1.0474   -1.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5578   -2.3427    2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.1419    2.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1668   -1.1683    3.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2644    3.4425    0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8777    3.0781    1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6240    2.8523   -0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937   -3.3837    0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4919   -5.7400   -0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348   -4.5108   -1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -0.5720   -1.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557   -0.0149   -2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7949   -0.8149   -3.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9470    0.8785   -2.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.9701    1.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1352    1.4995    3.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1961    2.4206    1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3589    3.6565   -2.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215    4.3024   -1.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    3.5118   -2.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2532    1.2797   -2.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8779    0.1985   -1.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
  7  2  1  0
 14  8  1  0
 24 18  1  0
 29  6  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  5 33  1  0
  5 34  1  0
  5 35  1  0
  9 36  1  0
 12 37  1  0
 12 38  1  0
 16 39  1  6
 17 40  1  0
 17 41  1  0
 17 42  1  0
 19 43  1  0
 22 44  1  0
 23 45  1  0
 28 46  1  0
 28 47  1  0
 28 48  1  0
 29 49  1  0
 29 50  1  0
M  END
$$$$
