
     RDKit          3D

 81 82  0  0  0  0  0  0  0  0999 V2000
   -2.8869   -5.2666    1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8766   -4.5801    0.3825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7382   -3.1828    0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7913   -2.5932   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4487   -3.2950   -1.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2912   -1.2408   -0.3209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0560   -0.2134    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1189    0.5059   -0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4967   -0.3548   -1.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8988   -0.5026   -1.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5994    1.8652   -1.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2891    2.1819   -2.2181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7864    3.0459   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2874    2.7128    1.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124    4.3437   -0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    4.1372   -0.8753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952    4.4917    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399    3.7412    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184    2.2519   -0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    1.3857    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2671    0.0142   -0.4296 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0877   -0.4429   -1.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5590   -1.0828   -2.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413   -0.1769   -1.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3044    0.0712   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7596    0.3584   -0.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5589    0.0017   -1.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9241    0.3109   -1.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5090    0.9678   -0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7335    1.3062    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5376    2.1929    1.9573 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3672    1.0008    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471   -0.8168    0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6119   -2.2416    0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.2782    1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299   -3.7146    1.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212   -1.7402    2.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0074   -0.8784   -0.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8631   -4.9170    0.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0651   -5.1605    2.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9463   -6.3457    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4156   -2.9178    1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7346   -2.7190    0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5607   -0.6652    1.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3598    0.5147    0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9749    0.7423    0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -1.0039   -0.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4009    0.4795   -1.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1487   -1.1447   -2.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183    1.7729   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    1.7180   -2.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8812    3.2426    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755    3.3627    1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6332    4.6692   -1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2658    5.1723    0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6995    5.5864    0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307    4.2480    1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977    3.8611    1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0492    4.1930   -0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    2.1490   -1.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6348    1.8898    0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023    1.3450    1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316    1.8744   -0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9823   -0.2195   -2.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8403    0.1135    0.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1491   -0.5327   -2.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5315    0.0357   -2.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    1.2039   -0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7786    1.2762    1.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2563   -0.3459    1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770   -2.7633   -0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2630   -2.8190    0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5741   -1.6585    1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6311   -4.0950    0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0513   -3.7462    2.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4097   -4.3843    2.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0316   -0.6487    2.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871   -2.2574    3.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -1.8925    3.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150    0.0945   -1.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -1.5934   -1.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 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
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 21 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 33 38  1  0
 38  6  1  0
 32 26  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  3 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  0
 10 47  1  0
 10 48  1  0
 10 49  1  0
 11 50  1  0
 12 51  1  0
 13 52  1  0
 14 53  1  0
 15 54  1  0
 15 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 24 64  1  0
 25 65  1  0
 27 66  1  0
 28 67  1  0
 29 68  1  0
 32 69  1  0
 33 70  1  0
 34 71  1  0
 34 72  1  0
 35 73  1  0
 36 74  1  0
 36 75  1  0
 36 76  1  0
 37 77  1  0
 37 78  1  0
 37 79  1  0
 38 80  1  0
 38 81  1  0
M  END
$$$$
