
     RDKit          3D

 63 66  0  0  0  0  0  0  0  0999 V2000
    7.5803    2.2197    2.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7473    1.3366    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    0.3583    0.4348 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860   -0.2795   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6365   -1.3884   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9844    0.2031   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445   -0.2271   -0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8259   -0.8846   -1.8333 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    0.1254   -0.2581 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1373    0.1084    1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238   -0.4329    1.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243    0.2591    0.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0328    0.1414   -0.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140    0.9812   -1.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4100    2.3285   -0.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6360    2.2151   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9666    2.0819   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9270    1.1840   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7570    1.7292    0.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5716    0.8996    1.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5506   -0.4822    1.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7192   -1.0404    0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9041   -0.2138   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0735   -0.7439   -1.2748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3810   -1.9896   -1.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795   -1.9289   -0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9659   -2.2843   -0.6843 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6074   -3.7029   -0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.3151   -1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938   -1.6790   -2.3087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465    0.7172   -1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0845    1.4707    1.0330 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6298    3.2347    1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1274    2.2844    3.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6085    1.8094    2.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4561   -1.0622   -2.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0217   -2.2857   -0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7085   -1.6599   -1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965    1.1417    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554   -0.5387    1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7012   -1.5264    1.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449   -0.2945    2.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9248    0.3850   -1.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6142    1.1919   -2.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598    2.7388   -0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329    3.0698   -1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908    3.1307    0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4915    1.3691    0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091    1.6923   -1.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4165    3.0901   -0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7631    2.7974    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2113    1.3279    2.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1802   -1.1219    2.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7315   -2.1118    0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0857   -2.8216   -0.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328   -2.1920   -2.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5383   -2.6250    0.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.9322    0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480   -4.0079   -1.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3603   -4.3484   -0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -3.8718   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    0.5536   -2.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588    1.8162   -0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 13 31  1  0
  6 32  1  0
 32  2  1  0
 31  9  1  0
 29 13  1  0
 23 18  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  5 36  1  0
  5 37  1  0
  5 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 17 49  1  0
 17 50  1  0
 19 51  1  0
 20 52  1  0
 21 53  1  0
 22 54  1  0
 25 55  1  0
 25 56  1  0
 26 57  1  0
 26 58  1  0
 28 59  1  0
 28 60  1  0
 28 61  1  0
 31 62  1  0
 31 63  1  0
M  END
$$$$
