HMLIN0500
     RDKit          3D

 49 49  0  0  1  0  0  0  0  0999 V2000
  -14.4532   -0.0188    5.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3391    0.3277    4.9199 C   0  0  0  0  0  2  0  0  0  0  0  0
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  -10.8560    0.6010    2.1496 C   0  0  0  0  0  2  0  0  0  0  0  0
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   11.5089    1.2337   -1.9548 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.2582    1.9102   -3.9549 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4545    1.5366   -4.5693 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.8962    0.6308   -3.3637 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3169   -1.7375    0.1084 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.1824   -0.0746    0.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4006    0.8379    0.7948 C   0  0  0  0  0  3  0  0  0  0  0  0
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  -11.4741    1.5460   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6965    0.8524   -1.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814    1.5883   -2.9482 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.1645    2.1891   -4.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8406    2.2372   -4.4695 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3813    0.4525   -1.9050 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1916   -0.5509   -0.3648 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6324   -2.3235    0.4881 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0382   -0.6317    0.0940 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.9478   -0.3880   -0.3782 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.6687    0.5263   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8661    0.1361    0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9069   -1.9167   -2.1057 C   0  0  0  0  0  1  0  0  0  0  0  0
   17.0916   -0.6780    1.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9857    0.1771    1.6463 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.4782    0.6742    6.7503 N   0  0  0  0  0  1  0  0  0  0  0  0
  -14.9044   -0.8651    5.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2055    0.3920    6.1411 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8758   -4.3876   -0.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0137   -0.0289    2.2235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8577   -1.0206    0.7231 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.1693    2.8736   -4.2780 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.9835    0.4838   -0.6377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886   -1.5734    0.8789 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989    0.8530   -4.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119   -2.9765    0.6133 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2071    0.4148    0.2664 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7667   -1.9150   -1.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2239    0.7891   -0.8294 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0879   -0.7896    0.2197 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3028    1.8502   -6.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5731   -1.2139    2.4178 S   0  0  0  0  0  1  0  0  0  0  0  0
   16.0899   -0.2020    2.3189 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5270    2.8220   -0.0819 O   0  0  0  0  0  1  0  0  0  0  0  0
  1 31  1  0
  1 32  2  0
  1 33  1  0
  2  3  1  0
  2 33  1  0
  3  4  1  0
  5 21  1  0
  5 34  2  0
  5 41  1  0
  6 15  1  0
  6 16  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
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  9 19  1  0
  9 40  1  0
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 12  4  1  0
 12 14  1  0
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 13 43  2  0
 14 44  2  0
 14 49  1  0
 15 24  3  0
 17 37  1  0
 17 46  2  0
 18 37  1  0
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 20 38  1  0
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 22 36  1  0
 23 25  2  0
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 24 25  1  0
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 26 22  1  0
 26 27  1  0
 26 28  1  0
 29 45  2  0
 29 47  1  0
 29 48  1  0
 30 48  2  0
M  RAD  8   2   3   3   3   4   3   6   3   7   3   8   3   9   3  10   3
M  RAD  8  12   2  16   3  18   3  19   3  20   3  21   3  22   2  23   2
M  RAD  8  26   2  27   2  28   2  30   2  31   3  33   2  36   2  37   2
M  RAD  4  41   2  42   2  47   2  49   2
M  END
$$$$
