
     RDKit          3D

 61 63  0  0  0  0  0  0  0  0999 V2000
   -3.1615    5.1332   -2.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667    3.7868   -1.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    3.3844   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628    4.2295    0.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    1.9285    0.0225 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1251    1.7029    1.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0239    0.0643    1.8512 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1590   -0.9602    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2530   -2.4093    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5446   -2.9752    0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7403   -4.2923    1.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6589   -5.0679    1.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3698   -4.5326    1.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1295   -3.1988    1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -2.7224    1.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154   -3.4893    1.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3113   -1.4704    0.6564 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050   -1.2417    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915    0.2513    0.1322 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6198    0.4203   -0.6517 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9199    0.1337   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0544   -0.2161    1.0822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1193    0.1656   -1.0333 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4052   -1.2213   -1.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9219   -1.3925   -1.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4136   -0.4053   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3317    0.5476   -0.3180 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4965    1.8114    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7434    2.1199    1.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5912    2.6856    0.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163    1.1485   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228    1.4153    0.5829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7932    5.7915   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    5.4702   -2.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145    5.1968   -3.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2525    1.3691   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1075    1.8033    0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766    2.4704    1.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0666   -0.6443   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167   -0.8107   -0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4107   -2.3887    0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7400   -4.7061    1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8166   -6.0896    1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585   -5.1784    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587   -1.6510   -0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7602   -1.7799    0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890    0.5764    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384    0.6223   -1.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9484    0.8886   -1.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9307   -2.0228   -1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0362   -1.3037   -2.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3637   -1.1332   -2.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2026   -2.4366   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6176   -0.9234    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3353    0.1059   -0.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944    2.2591    0.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115    3.0499    1.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9699    1.2866    1.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    2.1154   -0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1659    0.6432   -1.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3332    2.0862    1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  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  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 19 31  1  0
 31 32  1  0
 32  5  1  0
 14  9  1  0
 27 23  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  5 36  1  6
  6 37  1  0
  6 38  1  0
  8 39  1  0
  8 40  1  0
 10 41  1  0
 11 42  1  0
 12 43  1  0
 13 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  1
 20 48  1  0
 23 49  1  6
 24 50  1  0
 24 51  1  0
 25 52  1  0
 25 53  1  0
 26 54  1  0
 26 55  1  0
 29 56  1  0
 29 57  1  0
 29 58  1  0
 31 59  1  0
 31 60  1  0
 32 61  1  0
M  END
$$$$
