
     RDKit          3D

 94 97  0  0  0  0  0  0  0  0999 V2000
   11.6538    2.1698    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6453    2.2922   -1.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9242    1.0724   -1.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8820    0.6131   -0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3591    1.3847    0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3268    0.8871    1.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7939   -0.3848    1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6564   -0.9100    2.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3044   -0.7679    1.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8516    0.6945    1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786    0.7865    0.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244    0.4254    1.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2847    0.0477    2.3338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0645    0.4900    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0273   -0.6560   -0.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2366   -0.6941   -1.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056    0.6477   -2.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7899    1.2445   -2.9334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573    1.2733   -1.8373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577    2.7159   -1.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1091    0.5358   -2.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3425    1.2717   -1.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9573    1.9805   -2.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750    1.2766   -0.2602 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4602    2.4729    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7996    0.0599    0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5650   -1.1027   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9817   -0.7070   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3409   -0.4047   -1.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6448   -0.0031   -2.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5988    0.1062   -1.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2506   -0.1883    0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9484   -0.5959    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3811   -0.3088    1.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9817   -1.6097    0.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8612   -2.3491    1.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809   -3.7184    0.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404   -4.5570    1.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -4.0382    1.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7092   -2.6756    2.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7316   -1.8107    1.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876   -0.3840    2.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9156    0.0084    3.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1434    0.5834    1.1386 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3026   -1.1520    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3487   -0.6596   -0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8855   -1.4028   -1.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4518   -2.7054   -2.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2406    3.1102    0.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1389    1.9881    1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3521    1.3267   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2034    2.5012   -1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9529    3.1430   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7396    2.3728    0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378    1.4997    2.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8358   -1.9863    2.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6183   -0.3889    3.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466   -1.3483    1.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649   -1.2089    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7528    1.1384    2.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6131    1.2831    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5837    1.1745   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338    1.4410   -0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423   -1.6361   -0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -0.5521   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0662   -1.0928   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0748   -1.4059   -2.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2469    3.2643   -2.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8326    3.0807   -1.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4867    2.9381   -0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1866    0.3554   -3.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0800   -0.4594   -1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0851    3.3821   -0.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5533    2.3766    0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2687    2.6065    1.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3844    0.2868    1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0365   -1.4451   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5989   -1.9733    0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6101   -0.4723   -2.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9155    0.2323   -3.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6075    0.4193   -1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9906   -0.0967    1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6912   -0.8170    1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6614    0.4469    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807   -0.2867    2.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7227   -4.1396    0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779   -5.6139    0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407   -4.6924    2.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409   -2.2915    2.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5516    1.5411    1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   -2.1283   -0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3815   -2.6799   -2.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0532   -3.0471   -2.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033   -3.4156   -1.2530 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
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 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
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 26 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
  7 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  1  0
 46  4  1  0
 44 14  1  0
 33 28  1  0
 41 36  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  2 52  1  0
  2 53  1  0
  5 54  1  0
  6 55  1  0
  8 56  1  0
  8 57  1  0
  9 58  1  0
  9 59  1  0
 10 60  1  0
 10 61  1  0
 11 62  1  0
 14 63  1  0
 15 64  1  0
 15 65  1  0
 16 66  1  0
 16 67  1  0
 20 68  1  0
 20 69  1  0
 20 70  1  0
 21 71  1  0
 21 72  1  0
 25 73  1  0
 25 74  1  0
 25 75  1  0
 26 76  1  0
 27 77  1  0
 27 78  1  0
 29 79  1  0
 30 80  1  0
 31 81  1  0
 32 82  1  0
 33 83  1  0
 34 84  1  0
 34 85  1  0
 37 86  1  0
 38 87  1  0
 39 88  1  0
 40 89  1  0
 44 90  1  0
 45 91  1  0
 48 92  1  0
 48 93  1  0
 48 94  1  0
M  END
$$$$
