
     RDKit          3D

 89 94  0  0  0  0  0  0  0  0999 V2000
   13.4809   -0.5571   -2.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3728   -0.4541   -1.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6463   -0.4193   -0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0152   -0.3519   -2.0816 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8710   -0.3407   -1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8144   -1.1629   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6794   -1.1591    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6049   -0.3382    0.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4467   -0.2635    1.1356 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5865    0.6027    0.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2494    0.8252    1.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621    0.3449    2.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5541    0.1668    3.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109    0.0130    2.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858    1.1426    1.9426 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242    1.9359    3.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946    1.6907    3.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598    0.2514    2.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4904   -0.0278    2.9108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413    0.9228    2.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7103    1.8680    3.4896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340    0.8415    1.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8785    1.7768    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9661    2.4906   -0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8109    3.4047    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8216    4.0610   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9871    3.8222   -1.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1338    2.9387   -2.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1223    2.2809   -1.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5600   -0.5456    0.9798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082   -0.8981   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3040   -0.1937   -0.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9282   -2.1020   -1.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7696   -2.9415   -0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725   -2.1835   -0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -2.2909    0.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334   -1.5612    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6406   -0.0436    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982    0.7913    0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1566   -3.0503   -1.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1916   -2.5527   -2.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5899   -2.3063   -3.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6812   -1.2317   -3.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4926   -1.6146   -2.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    1.2860   -0.8686 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6564    0.4476   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7626    0.4592   -1.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4659   -0.6313   -2.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4803    0.3407   -3.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3354   -1.4610   -3.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8609   -0.1525   -3.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6332   -1.8293    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6370   -1.7954    1.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5822    1.2853    0.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895   -0.2412    3.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1337   -0.9101    1.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898    3.0139    2.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2965    1.7596    4.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170    2.4056    2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    1.8920    4.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879   -0.4194    3.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530   -0.9272    3.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4437    1.1817    1.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2436    1.1942   -0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194    2.5616    0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6886    3.6043    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4750    4.7572    0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7649    4.3377   -2.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2543    2.7642   -3.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4676    1.6043   -2.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2923   -1.3221    1.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -3.3585    0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5447   -3.8172   -1.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913   -1.5888   -1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0735   -2.9321    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642   -1.7396    0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275   -2.0190    1.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585    0.2892    0.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2419    1.7393    0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794    0.2847    0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6528   -3.1881   -0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8219   -4.0566   -1.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9542   -3.3492   -2.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7418   -1.6593   -1.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1824   -0.3085   -3.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2927   -0.9958   -4.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8085   -0.7417   -2.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9361   -2.4231   -3.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7698    1.0773   -2.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  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  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 33 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 10 45  1  0
 45 46  1  0
 46 47  2  0
 47  5  1  0
 46  8  1  0
 39 15  1  0
 38 18  1  0
 29 24  1  0
 44 33  1  0
  1 48  1  0
  1 49  1  0
  1 50  1  0
  4 51  1  0
  6 52  1  0
  7 53  1  0
 11 54  1  0
 14 55  1  0
 14 56  1  0
 16 57  1  0
 16 58  1  0
 17 59  1  0
 17 60  1  0
 18 61  1  0
 19 62  1  0
 22 63  1  0
 23 64  1  0
 23 65  1  0
 25 66  1  0
 26 67  1  0
 27 68  1  0
 28 69  1  0
 29 70  1  0
 30 71  1  0
 34 72  1  0
 34 73  1  0
 35 74  1  0
 36 75  1  0
 37 76  1  0
 37 77  1  0
 38 78  1  0
 39 79  1  0
 39 80  1  0
 40 81  1  0
 40 82  1  0
 41 83  1  0
 41 84  1  0
 43 85  1  0
 43 86  1  0
 44 87  1  0
 44 88  1  0
 47 89  1  0
M  END
$$$$
