
     RDKit          3D

 80 84  0  0  0  0  0  0  0  0999 V2000
   -9.5202    0.0509   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5658    0.2443    0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6951    1.6561    1.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417   -0.0827    0.6206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9224   -1.5526    0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4446   -1.9431    0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8226   -1.8819   -0.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4368   -2.1345   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8347   -2.2103   -1.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066   -2.2335   -1.8133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013   -1.2729   -1.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   -1.8050   -0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961   -0.9863   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6088    0.4020   -0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7315    1.2812   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021    2.5369   -0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    0.7302    0.3522 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0506    0.5974   -0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773   -0.3015   -0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203    0.1472    1.1779 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9137    1.0029    1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1044    0.1976    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5531   -0.8993    1.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6552   -1.6435    0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3166   -1.3020   -0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3845   -2.0285   -0.7078 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790   -0.2095   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7780    0.5375   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7258    0.7914    2.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2774    0.4094    1.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4515    0.9540   -1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159    0.1480   -1.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    0.8773   -2.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666    1.1937   -1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5399    1.8177    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5242    2.0820    1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8465    1.7046    0.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1961    1.0801   -0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2139    0.9018   -1.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6113    0.6225   -0.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4532   -0.9839   -0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3152    0.7702   -1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5691    0.2058    0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9315   -0.4341    1.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7352    1.8233    1.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4575    2.4489    0.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0109    1.7604    2.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4411   -2.0339    1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3476   -1.9952   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3986   -2.9864    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9499   -1.2696    1.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422   -3.1019    0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9435   -1.3168    0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191   -1.4227   -2.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1806   -3.1587   -2.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606   -2.8816   -0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5743   -1.4476    0.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4525    1.6013   -0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314    0.1364   -1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7780   -1.3340   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9706   -0.3671   -0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900    1.4653    1.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6942    1.8329    0.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0476   -1.1777    2.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9997   -2.4867    1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3942    0.0569   -1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4437    1.3788   -1.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969    1.9040    2.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9418    0.4923    3.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5941    0.9765    2.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179   -0.6779    1.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3839    2.0306   -1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1734    0.3305   -2.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4524    1.8469   -2.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    2.0923    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    2.5593    2.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5901    1.8917    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4920    0.4802   -2.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1885    1.5378   -0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6788   -0.0263   -1.4832 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 20 29  1  0
 29 30  1  0
 14 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40  4  1  0
 32 11  1  0
 39 34  2  0
 30 17  1  0
 28 22  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  3 45  1  0
  3 46  1  0
  3 47  1  0
  5 48  1  0
  5 49  1  0
  6 50  1  0
  6 51  1  0
  8 52  1  0
  8 53  1  0
  9 54  1  0
  9 55  1  0
 12 56  1  0
 13 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 21 62  1  0
 21 63  1  0
 23 64  1  0
 24 65  1  0
 27 66  1  0
 28 67  1  0
 29 68  1  0
 29 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 33 73  1  0
 33 74  1  0
 35 75  1  0
 36 76  1  0
 37 77  1  0
 39 78  1  0
 40 79  1  0
 40 80  1  0
M  END
$$$$
