
     RDKit          3D

 57 60  0  0  0  0  0  0  0  0999 V2000
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    4.8784   -1.5541    0.7812 S   0  0  0  0  0  6  0  0  0  0  0  0
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    5.3858   -2.0674   -0.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3226   -0.8101    0.5557 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977    0.3489   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888    1.6528    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962    2.4666    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492    1.5408   -0.0952 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613    2.2265   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    1.7614    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2523    1.8182   -0.6662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5024    1.4036   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7217    2.1284    0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0346    0.8303    0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9667   -1.1980   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367   -1.5851    1.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259   -2.6221    0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018   -2.3053   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1815   -2.2939   -1.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1812   -1.1440   -1.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4981   -1.0827   -0.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119   -0.6478   -1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386    0.6204   -1.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3647    0.3186    0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    0.1076    2.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9753   -0.9832    1.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541   -0.5360    1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1590    0.1862   -1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9526    1.4695    1.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5304    2.2147   -0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5330    3.2988   -0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383    2.8880    1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2240    3.3411   -0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2124    3.4344   -0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4426    2.9252    0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9977    0.6207    1.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3474   -2.6604    1.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4883   -3.6298    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340   -3.1255   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5053   -0.3419   -2.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2463    1.1467   -1.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
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 25 26  1  0
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 18 13  1  0
 24 19  1  0
  1 28  1  0
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  5 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
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 10 37  1  0
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 24 54  1  0
 26 55  1  0
 26 56  1  0
 27 57  1  0
M  END
$$$$
