D04USC
  -OEChem-10101305032D

 17 17  0     0  0  0  0  0  0999 V2000
    2.8090   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.1795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -0.7281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -0.5624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6033    1.0359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8237    0.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    0.5943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -0.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D00KVO
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    4.5981    1.1690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -0.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -1.5630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350    1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1890   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0360   -2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2629   -1.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 17  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D05MBZ
  -OEChem-10121500302D

 56 57  0     1  0  0  0  0  0999 V2000
    4.5981    4.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    0.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5062   -6.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  3 18  1  0  0  0  0
  3 23  1  0  0  0  0
  6 21  1  0  0  0  0
  6 27  1  0  0  0  0
  9  7  1  6  0  0  0
  7 13  1  0  0  0  0
  7 32  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 31  1  0  0  0  0
 11 14  2  0  0  0  0
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 12 33  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  2  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END

$$$$
D0Q3BV
  -OEChem-10101305022D

217212  0     1  0  0  0  0  0999 V2000
   13.4786    4.9444    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.5277    0.2211    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.1300   -5.5689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1326    2.4743    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4658    0.1893    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2037    6.6545    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   29.1726    0.7639    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   26.6493   -6.4006    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.6952    3.4406    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.0284    1.1557    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   21.5252    4.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0661    1.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8025    4.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2616    1.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8120   -2.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846   -1.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2364   -3.9056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4518   -0.2201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2177   -3.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7850   -2.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8475    5.7201    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.7029    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2543    5.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5068    0.0177    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   27.7312    1.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3243   -0.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6496   -6.4233    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   25.9844   -5.0493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2755   -6.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0307    2.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1638    3.7240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3272    0.3368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6639    2.2038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0028    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3474   -2.4201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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104192  1  0  0  0  0
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105195  1  0  0  0  0
105196  1  0  0  0  0
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111212  1  0  0  0  0
111213  1  0  0  0  0
112216  1  0  0  0  0
112217  1  0  0  0  0
M  CHG  8   6   1   7   1   8   1   9   1  10   1  24  -1  27  -1  30  -1
M  CHG  2  33  -1  36  -1
M  END

$$$$
D0BZ7W
  -OEChem-10121500132D

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  5  4  1  6  0  0  0
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 13 33  1  0  0  0  0
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 14 44  1  0  0  0  0
 15 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 45  1  0  0  0  0
 17 22  2  0  0  0  0
 17 46  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
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 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 23  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  END

$$$$
D06OUL
  -OEChem-10101305022D

 56 59  0     1  0  0  0  0  0999 V2000
    8.3342   -0.3657    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9141    1.8470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1414    0.6438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 48  1  0  0  0  0
 31 33  1  0  0  0  0
 31 49  1  0  0  0  0
 32 33  2  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
 34 35  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
M  END

$$$$


