D00AEQ
  -OEChem-04152108592D

 54 57  0     1  0  0  0  0  0999 V2000
    8.0319    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.6062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.3938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.8938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.3938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.9109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -0.9007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587    0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1493    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972    0.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.5811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    1.5811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    1.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.4985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.5209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.5157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -1.8198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    1.6062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.2262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.6062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -2.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -2.9360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324    0.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    0.1455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787    0.0945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    0.7193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4476    2.3225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -0.2792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -0.9659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -3.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8090    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    0.8358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153    1.6549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 48  1  0  0  0  0
  2 20  2  0  0  0  0
  3 23  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  1  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  6  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  1  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  6  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  1  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 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

$$$$
D00AMQ
  -OEChem-10111523432D

  9  8  0     0  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END

$$$$
D00AOJ
  -OEChem-10101305022D

 69 68  0     0  0  0  0  0  0999 V2000
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0598    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2628    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1288   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9258   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7919    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9948    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8608   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5239    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7269    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5929   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3899   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2560    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4589    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3249   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1220   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8995   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1264    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2795    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 69  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  7  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  8  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 11  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 12  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 43  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 16  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 17  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 18  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 19  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 20  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 21  1  0  0  0  0
 19 58  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 23  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
M  END

$$$$
D00AWT
  -OEChem-10101305032D

 49 52  0     0  0  0  0  0  0999 V2000
    6.3301   -3.5427    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7243   -1.0152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D00AXJ
  -OEChem-10111523482D

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M  END

$$$$
D00BCG
  -OEChem-10121500152D

175180  0     1  0  0  0  0  0999 V2000
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 90173  1  0  0  0  0
M  END

$$$$
D00BCP
  -OEChem-10121500582D

 30 30  0     0  0  0  0  0  0999 V2000
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 16 30  1  0  0  0  0
M  END

$$$$
D00BDC
  SciTegic11301210262D

 28 30  0  0  0  0            999 V2000
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  2  1  2  0
  3  6  1  0
  4  2  1  0
  5  1  1  0
  6 10  1  0
  7  1  1  0
  8 18  1  0
  9  5  1  0
 10  9  2  0
 11  4  2  0
 12  3  1  0
 13  3  1  0
 14  3  1  0
 15 27  1  0
 16  4  1  0
 17  2  1  0
 18 19  1  0
 19 16  1  0
 20  8  1  0
 21  8  1  0
 22 23  1  0
 23 25  2  0
 24  7  2  0
 25  9  1  0
 26 20  1  0
 27 21  1  0
 28 24  1  0
 17 28  2  0
  6 22  2  0
 26 15  1  0
M  END

$$$$
D00BLL
  -OEChem-04152109342D

 79 79  0     1  0  0  0  0  0999 V2000
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 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 76  1  0  0  0  0
 36 38  1  0  0  0  0
 36 77  1  0  0  0  0
M  END

$$$$
D00CSQ
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    6.0010    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
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 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D00CTS
  -OEChem-10121500212D

 59 60  0     1  0  0  0  0  0999 V2000
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    9.9880   -0.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5813   -0.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2575    1.4628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
 13  4  1  6  0  0  0
  4 43  1  0  0  0  0
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  6 59  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 15  1  0  0  0  0
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 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
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 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  END

$$$$
D00DEF
  -OEChem-10121501182D

 44 44  0     1  0  0  0  0  0999 V2000
    6.0010   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.5600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 19  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END

$$$$
D00DKK
  -OEChem-10121501422D

 50 50  0     0  0  0  0  0  0999 V2000
    9.0622    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  1 50  1  0  0  0  0
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 10 30  1  0  0  0  0
 10 33  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
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 15 40  1  0  0  0  0
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 18 45  1  0  0  0  0
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 20 46  1  0  0  0  0
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 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
M  END

$$$$
D00DPJ
  -OEChem-04152110412D

 27 28  0     0  0  0  0  0  0999 V2000
    2.8660   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3 11  2  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  CHG  1   2   1
M  END

$$$$
D00DZN
          11280715022D 1   1.00000     0.00000     0

 13 13  0     0  0            999 V2000
    6.3042   -2.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5875   -2.8125    0.0000 N   0  0  0  0  0  0           0  0  0
    7.0167   -2.8125    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3042   -1.5667    0.0000 O   0  0  0  0  0  0           0  0  0
    4.8667   -2.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4542   -2.8125    0.0000 Cl  0  0  0  0  0  0           0  0  0
    4.1417   -2.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7375   -2.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4292   -2.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1417   -3.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7167   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4292   -4.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7167   -3.6375    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  2  1  0     0  0
  6  8  1  0     0  0
  7  5  1  0     0  0
  8  3  1  0     0  0
  9  7  2  0     0  0
 10  7  1  0     0  0
 11  9  1  0     0  0
 12 10  2  0     0  0
 13 12  1  0     0  0
 13 11  2  0     0  0
M  END

$$$$
D00EEL
  -OEChem-10121500232D

 18 19  0     0  0  0  0  0  0999 V2000
    5.2152   -1.1824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259    1.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -0.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.0973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.0973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.0147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.8526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.8526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$
D00ENY
  -OEChem-10111523272D

 19 18  0     1  0  0  0  0  0999 V2000
    5.4641    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  7  5  1  6  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D00EQL
  -OEChem-10121501052D

 86 90  0     1  0  0  0  0  0999 V2000
    8.9282    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 36  1  0  0  0  0
 35 77  1  0  0  0  0
 35 78  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 41  1  0  0  0  0
 39 40  2  0  0  0  0
 39 79  1  0  0  0  0
 40 42  1  0  0  0  0
 41 81  1  0  0  0  0
 41 82  1  0  0  0  0
 41 83  1  0  0  0  0
 42 84  1  0  0  0  0
 42 85  1  0  0  0  0
 42 86  1  0  0  0  0
M  END

$$$$
D00ETS
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    5.4641    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9220    1.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -1.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D00FGO
  -OEChem-10121501432D

 37 37  0     1  0  0  0  0  0999 V2000
    2.5369    4.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  3 19  1  0  0  0  0
  3 37  1  0  0  0  0
  4 19  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
 12  6  1  1  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 18  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 19  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END

$$$$
D00FGR
  -OEChem-10101305022D

 73 72  0     1  0  0  0  0  0999 V2000
   16.7224    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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   20.1865    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3205    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9938   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7190    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 22 25  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 26  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END

$$$$
D00FGV
  -OEChem-10121501122D

 39 40  0     1  0  0  0  0  0999 V2000
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    4.5981    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9441    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0420    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  2  0  0  0  0
 11 27  1  0  0  0  0
 12 18  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D00FSV
  -OEChem-04152109142D

 79 80  0     1  0  0  0  0  0999 V2000
   16.7224   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1306   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9248   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4142   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7908   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  2  0  0  0  0
  2 28  2  0  0  0  0
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 18 65  1  0  0  0  0
 18 66  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 67  1  0  0  0  0
 21 68  1  0  0  0  0
 21 69  1  0  0  0  0
 21 70  1  0  0  0  0
 22 23  1  0  0  0  0
 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  1  0  0  0  0
 27 31  2  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 32  1  0  0  0  0
 30 76  1  0  0  0  0
 31 33  1  0  0  0  0
 31 77  1  0  0  0  0
 32 33  2  0  0  0  0
 32 78  1  0  0  0  0
 33 79  1  0  0  0  0
M  END

$$$$
D00GNJ
  -OEChem-10121500312D

180185  0     1  0  0  0  0  0999 V2000
   11.6781   -3.5729    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7251    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3420   -4.3357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9958    0.1362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2710    1.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9003    3.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 89167  1  0  0  0  0
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 90168  1  0  0  0  0
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 93 96  1  0  0  0  0
 93169  1  0  0  0  0
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 99101  2  0  0  0  0
 99177  1  0  0  0  0
100101  1  0  0  0  0
100178  1  0  0  0  0
M  END

$$$$
D00GOS
  -OEChem-10101305032D

 56 59  0     1  0  0  0  0  0999 V2000
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 19  2  1  6  0  0  0
 15  3  1  1  0  0  0
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 23 48  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$
D00HCQ
  -OEChem-10121500582D

 47 48  0     1  0  0  0  0  0999 V2000
    7.1962   -0.0429    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 11  3  1  1  0  0  0
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 13  8  1  6  0  0  0
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 22 41  1  0  0  0  0
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 23 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D00HDU
  -OEChem-10121500532D

 70 72  0     1  0  0  0  0  0999 V2000
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    6.3301    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0829    3.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    0.6904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7741    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4764    4.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 54  1  0  0  0  0
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  3 30  1  0  0  0  0
  4 24  1  0  0  0  0
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  7 26  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
 15  9  1  6  0  0  0
 17  9  1  1  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  6  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 42  1  0  0  0  0
 17 21  1  0  0  0  0
 17 26  1  0  0  0  0
 17 43  1  0  0  0  0
 18 23  1  0  0  0  0
 18 45  1  0  0  0  0
 20 24  1  0  0  0  0
 20 46  1  0  0  0  0
 21 25  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  2  0  0  0  0
 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 33  1  0  0  0  0
 28 55  1  0  0  0  0
 29 34  2  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 36  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 35  2  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
M  END

$$$$
D00HGB
  -OEChem-10111523482D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000   -3.2220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.5880    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.8560    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4 20  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 15 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D00HHS
  -OEChem-10121501242D

 27 27  0     1  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  6  0  0  0
  1 21  1  0  0  0  0
  3  2  1  1  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D00HNB
  -OEChem-10101305022D

 15 14  0     0  0  0  0  0  0999 V2000
    3.4860    0.7245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -1.0075    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    0.3585    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -0.6415    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    1.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -1.1415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520   -0.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -1.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2550    0.5485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620    1.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -1.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  2  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D00HPK
  -OEChem-10101305032D

 43 45  0     1  0  0  0  0  0999 V2000
    5.4641    0.4827    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7 11  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 15 37  1  0  0  0  0
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 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D00HWO
  -OEChem-10121500292D

 46 48  0     1  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
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 10  7  1  1  0  0  0
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 16 33  1  0  0  0  0
 17 22  1  0  0  0  0
 17 36  1  0  0  0  0
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 18 35  1  0  0  0  0
 21 23  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D00HZV
  -OEChem-10121501262D

 48 50  0     1  0  0  0  0  0999 V2000
    4.8830    0.9047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0169   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END

$$$$
D00IBN
  -OEChem-10121501232D

 36 38  0     1  0  0  0  0  0999 V2000
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 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END

$$$$
D00IUG
  -OEChem-10121500412D

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 10  2  1  1  0  0  0
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 21 45  1  0  0  0  0
M  END

$$$$
D00JAU
  -OEChem-10121500432D

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 29 32  1  0  0  0  0
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 30 32  2  0  0  0  0
 30 58  1  0  0  0  0
 32 59  1  0  0  0  0
M  END

$$$$
D00JRA
  -OEChem-04152108582D

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 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D00JVR
  -OEChem-10121501112D

 51 54  0     1  0  0  0  0  0999 V2000
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 25 27  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
M  END

$$$$
D00KFB
  -OEChem-04152110592D

 47 49  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00KHM
  -OEChem-10121502002D

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 31 34  1  0  0  0  0
 31 62  1  0  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
M  END

$$$$
D00KRE
  -OEChem-04152109322D

 32 33  0     0  0  0  0  0  0999 V2000
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 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END

$$$$
D00KRT
  -OEChem-04152108442D

101105  0     0  0  0  0  0  0999 V2000
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 25 32  1  0  0  0  0
 25 69  1  0  0  0  0
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 26 31  1  0  0  0  0
 26 38  2  0  0  0  0
 27 33  1  0  0  0  0
 27 39  2  0  0  0  0
 28 36  2  0  0  0  0
 28 71  1  0  0  0  0
 29 37  2  0  0  0  0
 29 72  1  0  0  0  0
 30 40  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 36  1  0  0  0  0
 31 42  2  0  0  0  0
 32 41  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
 33 37  1  0  0  0  0
 33 43  2  0  0  0  0
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 34 77  1  0  0  0  0
 35 45  1  0  0  0  0
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 36 79  1  0  0  0  0
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 38 46  1  0  0  0  0
 38 81  1  0  0  0  0
 39 47  1  0  0  0  0
 39 82  1  0  0  0  0
 40 48  1  0  0  0  0
 40 83  1  0  0  0  0
 40 84  1  0  0  0  0
 41 49  1  0  0  0  0
 41 85  1  0  0  0  0
 41 86  1  0  0  0  0
 42 50  1  0  0  0  0
 42 87  1  0  0  0  0
 43 51  1  0  0  0  0
 43 88  1  0  0  0  0
 44 52  1  0  0  0  0
 44 89  1  0  0  0  0
 45 53  2  0  0  0  0
 45 90  1  0  0  0  0
 46 50  2  0  0  0  0
 46 91  1  0  0  0  0
 47 51  2  0  0  0  0
 47 92  1  0  0  0  0
 48 93  1  0  0  0  0
 48 94  1  0  0  0  0
 49 95  1  0  0  0  0
 49 96  1  0  0  0  0
 50 97  1  0  0  0  0
 51 98  1  0  0  0  0
 52 54  2  0  0  0  0
 52 99  1  0  0  0  0
 53 54  1  0  0  0  0
 53100  1  0  0  0  0
 54101  1  0  0  0  0
M  CHG  4   3   1   4  -1   7  -1  10   1
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

$$$$
D00LFB
  -OEChem-10121501242D

 42 43  0     1  0  0  0  0  0999 V2000
    2.0000   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -1.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331    2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  1  0  0  0
  1 34  1  0  0  0  0
  2 18  1  0  0  0  0
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  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 19  1  0  0  0  0
 14 35  1  0  0  0  0
 15 20  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D00MDP
  -OEChem-10121500522D

 49 51  0     1  0  0  0  0  0999 V2000
    6.0010    4.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3170    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    2.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    2.8170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.8671    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1350    4.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    5.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    4.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5150    3.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    3.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -2.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
  6 45  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
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  9 40  1  0  0  0  0
 10 27  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
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 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 36  1  0  0  0  0
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 16 35  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D00MIN
  -OEChem-10121500552D

 21 21  0     0  0  0  0  0  0999 V2000
    7.1962   -1.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END

$$$$
D00MLW
  -OEChem-02031521062D

 74 73  0     0  0  0  0  0  0999 V2000
   10.6603    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4124    2.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0324    3.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 25  1  0  0  0  0
  2 21  1  0  0  0  0
  2 27  1  0  0  0  0
  3 22  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  2  0  0  0  0
  5 27  2  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 17  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 20  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 19  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 18  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 45  1  0  0  0  0
 15 24  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 23  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 25  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 27  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 26  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 28  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 29  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 30  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
M  END

$$$$
D00MYQ
  -OEChem-10121501232D

 41 43  0     0  0  0  0  0  0999 V2000
    3.1509   -2.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840    1.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4080    0.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0950   -0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4936    0.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8049   -0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -0.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2290   -2.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6275   -1.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744    0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916    0.0155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140    3.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520    3.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280    3.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    3.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9871    0.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    0.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140   -1.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    2.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    2.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309   -3.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -3.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709   -3.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  2  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END

$$$$
D00MYT
  -OEChem-10111523512D

 34 34  0     1  0  0  0  0  0999 V2000
    3.7320   -3.2320    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.6340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D00NAX
  -OEChem-10121501232D

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 18 38  1  0  0  0  0
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 20 40  1  0  0  0  0
M  END

$$$$
D00NJJ
  -OEChem-10101305032D

 61 64  0     1  0  0  0  0  0999 V2000
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 21 43  1  0  0  0  0
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 28 29  1  0  0  0  0
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 31 33  1  0  0  0  0
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 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
 35 60  1  0  0  0  0
 36 61  1  0  0  0  0
M  END

$$$$
D00NJL
  SciTegic03291108532D

 24 25  0  0  0  0            999 V2000
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  1 15  1  0
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  4  5  1  0
  4 10  1  0
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  5  7  1  0
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 10 14  1  0
 12 13  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
 15 19  1  0
 18 21  2  0
 19 20  2  0
 20 21  1  0
M  END

$$$$
D00NKB
  -OEChem-10121500232D

 30 32  0     0  0  0  0  0  0999 V2000
    5.4641   -0.5721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.4626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -1.6067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.1179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   -1.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720   -1.9104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    1.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9918    2.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  2  0  0  0  0
  3 11  2  0  0  0  0
  3 16  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  2  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 15 18  2  0  0  0  0
 15 21  1  0  0  0  0
 17 19  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END

$$$$
D00NNC
  -OEChem-10121501162D

 19 18  0     0  0  0  0  0  0999 V2000
    4.8520    0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784    1.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7960   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5937    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9720   -0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  2  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END

$$$$
D00NPP
  -OEChem-10101305032D

 43 43  0     1  0  0  0  0  0999 V2000
    6.0010   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    0.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    0.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    0.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649   -0.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
 14  2  1  1  0  0  0
  2 33  1  0  0  0  0
 16  3  1  6  0  0  0
  3 34  1  0  0  0  0
  4 19  1  0  0  0  0
  4 38  1  0  0  0  0
  5 20  2  0  0  0  0
  6 21  1  0  0  0  0
  6 43  1  0  0  0  0
  7 21  2  0  0  0  0
 13  8  1  6  0  0  0
  8 20  1  0  0  0  0
  8 29  1  0  0  0  0
 15  9  1  1  0  0  0
  9 22  2  0  0  0  0
 10 22  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 22  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  6  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 23  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D00NPT
  -OEChem-10101305022D

 32 33  0     0  0  0  0  0  0999 V2000
    6.9459    0.6121    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.7612    1.3844    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1737   -0.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5550    2.3629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    1.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522   -0.3664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782    2.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4169    1.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.8194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.2871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7122   -0.9866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7415   -0.5590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1171    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3686    1.6397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9657    2.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  2  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 29  1  0  0  0  0
  5 28  1  0  0  0  0
  6 27  1  0  0  0  0
  7 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D00NVX
  -OEChem-10121501012D

 59 62  0     0  0  0  0  0  0999 V2000
    5.8852    0.1288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3025   -0.2076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7807   -0.8658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -1.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2723    0.7165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8904    0.7165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5813    1.6676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5813    1.6676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7637    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9716    0.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8127    1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7512    0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025   -1.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6048    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    0.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -3.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172   -0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2169    2.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  2  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4 21  1  0  0  0  0
  4 23  2  0  0  0  0
  5  7  1  0  0  0  0
  5 30  2  0  0  0  0
  6  8  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 59  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 11 16  1  0  0  0  0
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 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
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 16 19  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
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 18 44  1  0  0  0  0
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 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
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 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 27 55  1  0  0  0  0
 28 31  1  0  0  0  0
 28 56  1  0  0  0  0
 29 31  2  0  0  0  0
 29 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D00OAY
  -OEChem-10101305032D

 59 61  0     1  0  0  0  0  0999 V2000
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 23 12  1  1  0  0  0
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 18 39  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
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 23 26  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
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 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
 30 32  2  0  0  0  0
 30 55  1  0  0  0  0
 31 33  2  0  0  0  0
 31 56  1  0  0  0  0
 32 33  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D00OVU
  -OEChem-10191523062D

 55 59  0     1  0  0  0  0  0999 V2000
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 32 55  1  0  0  0  0
M  END

$$$$
D00PBX
  -OEChem-10191523092D

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 58 60  1  0  0  0  0
 60 61  2  0  0  0  0
 60109  1  0  0  0  0
 61111  1  0  0  0  0
M  CHG  2   8  -1  14   1
M  END

$$$$
D00PEH
  -OEChem-04152121562D

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    9.3493    3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    0.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    0.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    4.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    4.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    5.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2153    5.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6859   -1.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -3.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002   -4.3369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413   -5.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    0.0371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348    0.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1573   -0.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -4.0987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -4.7801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -5.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6092   -6.0811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234   -6.8997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7420   -6.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8862    1.8333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8862    3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -0.5967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0803    3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8862    0.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2143    1.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7523    6.3333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 23  1  0  0  0  0
  2 54  1  0  0  0  0
  3 33  1  0  0  0  0
  3 55  1  0  0  0  0
  4 33  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 24 27  2  0  0  0  0
 25 29  2  0  0  0  0
 25 47  1  0  0  0  0
 26 30  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 31  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D00PLV
  -OEChem-10101305022D

 13  6  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4 11  3  0  0  0  0
  5  9  3  0  0  0  0
  6 10  3  0  0  0  0
  7 12  3  0  0  0  0
  8 13  3  0  0  0  0
M  CHG  7   1   6   3  -1   9  -1  10  -1  11  -1  12  -1  13  -1
M  END

$$$$
D00PRI
  -OEChem-04152110472D

 35 31  0     0  0  0  0  0  0999 V2000
    3.6310   -3.9135    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    5.9356    3.9135    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.3621    0.8706    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.6310   -3.9135    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9239   -3.2064    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9794   -0.0533    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5530    2.9896    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2620   -3.5891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6053   -1.1077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532    2.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.4993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3878    0.4790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137   -0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0051   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381   -2.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    0.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7790    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381   -3.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -2.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9880   -0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1617    2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0407    0.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4084   -0.4412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -1.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104   -0.5791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -2.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6481   -1.6694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7914   -0.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0941   -1.1893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292    0.8958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1928    1.2008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2561    1.6055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3602    0.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  2  0  0  0  0
  9 21  2  0  0  0  0
 10 22  2  0  0  0  0
 11 23  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  CHG  7   1   2   2   1   3   1   4  -1   5  -1   6  -1   7  -1
M  END

$$$$
D00QET
  -OEChem-10121500072D

 77 81  0     1  0  0  0  0  0999 V2000
   13.3244    2.6135    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    2.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    4.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    3.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494   -1.6503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -2.4729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7070   -0.5978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571   -0.5978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.2547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.4449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.7547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5422    0.2203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5470    1.9830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470    5.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960    4.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3 53  1  0  0  0  0
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M  END

$$$$
D00RCI
  -OEChem-10121501052D

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264516  1  0  0  0  0
M  END

$$$$
D00RJJ
  -OEChem-04152109562D

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M  END

$$$$
D00SBN
  -OEChem-10101305032D

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 20 55  1  0  0  0  0
M  END

$$$$
D00SEB
  -OEChem-10121500482D

 55 56  0     1  0  0  0  0  0999 V2000
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 13  7  1  1  0  0  0
 15  7  1  1  0  0  0
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 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$
D00SHQ
          11280714502D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
    4.1625   -6.7917    0.0000 C   0  0  3  0  0  0           0  0  0
    3.1250   -6.2292    0.0000 N   0  0  3  0  0  0           0  0  0
    3.6917   -7.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1625   -6.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7167   -7.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0667   -6.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5292   -6.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0667   -6.9000    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6292   -5.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1250   -6.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7250   -7.6292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2167   -6.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0167   -6.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5292   -5.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6875   -6.4000    0.0000 O   0  0  0  0  0  0           0  0  0
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   -0.5000   -5.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7542   -6.9917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2792   -7.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0167   -5.1375    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5000   -6.0292    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.0125   -5.1250    0.0000 F   0  0  0  0  0  0           0  0  0
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    1.5667   -5.9917    0.0000 C   0  0  0  0  0  0           0  0  0
  2  9  1  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  5  1  1  0     0  0
  6 26  1  0     0  0
  7  6  1  0     0  0
  8  6  2  0     0  0
  9  4  1  0     0  0
 10  3  1  0     0  0
 11  5  1  0     0  0
 12  5  2  0     0  0
 13  7  2  0     0  0
 14  7  1  0     0  0
 15  1  1  0     0  0
 16 18  2  0     0  0
 17 20  1  0     0  0
 18 12  1  0     0  0
 19 11  2  0     0  0
 20 14  2  0     0  0
 21 13  1  0     0  0
 22 16  1  0     0  0
 23 17  1  0     0  0
 24  2  1  0     0  0
 25 24  1  0     0  0
 26 25  1  0     0  0
  2 10  1  0     0  0
 19 16  1  0     0  0
 21 17  2  0     0  0
M  END

$$$$
D00SJE
  -OEChem-10121501432D

 35 35  0     1  0  0  0  0  0999 V2000
    5.7320   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.6340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    1.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0826    0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 15  2  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 29  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D00SLY
  -OEChem-10121501292D

 66 70  0     0  0  0  0  0  0999 V2000
    3.3242   -1.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4593    1.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6051    0.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4848   -1.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8077   -1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1434   -2.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
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  3  8  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 37  1  0  0  0  0
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 10 43  1  0  0  0  0
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 11 13  1  0  0  0  0
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 16 21  1  0  0  0  0
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 17 20  1  0  0  0  0
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 18 23  2  0  0  0  0
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 20 26  2  0  0  0  0
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 23 25  1  0  0  0  0
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 25 60  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
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 28 62  1  0  0  0  0
 29 31  2  0  0  0  0
 29 63  1  0  0  0  0
 30 32  2  0  0  0  0
 30 64  1  0  0  0  0
 31 32  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D00SQN
  -OEChem-04152110372D

 48 50  0     0  0  0  0  0  0999 V2000
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    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 48  1  0  0  0  0
M  END

$$$$
D00STJ
  -OEChem-10101305032D

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M  END

$$$$
D00STL
  -OEChem-04152109532D

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 25 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 31  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 36  1  0  0  0  0
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 35 57  1  0  0  0  0
 36 38  2  0  0  0  0
 36 58  1  0  0  0  0
 37 59  1  0  0  0  0
 38 39  1  0  0  0  0
 38 60  1  0  0  0  0
 39 61  1  0  0  0  0
M  END

$$$$
D00SVU
  -OEChem-10191523032D

 44 47  0     1  0  0  0  0  0999 V2000
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 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D00TGR
  -OEChem-10101305032D

 44 44  0     0  0  0  0  0  0999 V2000
    8.0622    3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2320   -2.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  1 11  2  0  0  0  0
  1 12  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
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  2 10  2  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 14 32  1  0  0  0  0
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 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 34  1  0  0  0  0
 19 24  1  0  0  0  0
 19 33  1  0  0  0  0
 20 25  2  0  0  0  0
 20 36  1  0  0  0  0
 21 26  2  0  0  0  0
 21 35  1  0  0  0  0
 22 29  1  0  0  0  0
 22 37  1  0  0  0  0
 23 27  2  0  0  0  0
 23 39  1  0  0  0  0
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 24 38  1  0  0  0  0
 25 27  1  0  0  0  0
 25 41  1  0  0  0  0
 26 28  1  0  0  0  0
 26 40  1  0  0  0  0
 29 31  2  0  0  0  0
 29 42  1  0  0  0  0
 30 31  1  0  0  0  0
 30 43  1  0  0  0  0
 31 44  1  0  0  0  0
M  CHG  4   3   1   4   1   7  -1   8  -1
M  END

$$$$
D00TLN
  -OEChem-10111523562D

 43 46  0     0  0  0  0  0  0999 V2000
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 22 43  1  0  0  0  0
M  END

$$$$
D00TLP
  -OEChem-10121501302D

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M  END

$$$$
D00TRV
  -OEChem-10101305022D

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 25 26  1  0  0  0  0
 26 45  1  0  0  0  0
M  END

$$$$
D00UJF
  -OEChem-04152109202D

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 33 61  1  0  0  0  0
 34 65  1  0  0  0  0
M  END

$$$$
D00UOR
  -OEChem-10111523082D

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451463  1  0  0  0  0
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452873  1  0  0  0  0
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453870  1  0  0  0  0
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457469  1  0  0  0  0
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460471  1  0  0  0  0
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461477  1  0  0  0  0
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463474  2  0  0  0  0
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470478  1  0  0  0  0
470900  1  0  0  0  0
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472476  1  0  0  0  0
472479  1  6  0  0  0
472905  1  0  0  0  0
474480  1  0  0  0  0
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480482  2  0  0  0  0
480918  1  0  0  0  0
481482  1  0  0  0  0
481919  1  0  0  0  0
M  END

$$$$
D00USF
  -OEChem-10111523412D

 48 51  0     0  0  0  0  0  0999 V2000
   12.2619   -3.0427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.7619   -2.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -3.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7619   -3.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2368   -0.8431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368   -0.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0719   -1.6397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0719   -4.4456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 18  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
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  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
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  5 18  1  0  0  0  0
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  9 11  1  0  0  0  0
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 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
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 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
 17 42  1  0  0  0  0
 19 24  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END

$$$$
D00UTD
  -OEChem-04152110112D

 18 14  0     0  0  0  0  0  0999 V2000
    5.6430    1.2078    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    5.3340    2.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.0077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861    5.3954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0249    1.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
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  5 13  1  0  0  0  0
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  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END

$$$$
D00UVA
  -OEChem-10121501332D

109112  0     1  0  0  0  0  0999 V2000
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    6.3301    4.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1403    0.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    1.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -1.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -2.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    2.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    3.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7522    2.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -3.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -2.8253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -3.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723   -2.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1369   -5.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383   -4.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -4.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1836   -5.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -6.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383   -6.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369   -5.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -5.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 16  2  0  0  0  0
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  6 31  2  0  0  0  0
  7 41  2  0  0  0  0
 15  8  1  1  0  0  0
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 21  9  1  1  0  0  0
  9 27  1  0  0  0  0
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 25 10  1  6  0  0  0
 10 31  1  0  0  0  0
 10 77  1  0  0  0  0
 30 11  1  1  0  0  0
 11 41  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 67  1  0  0  0  0
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 23 69  1  0  0  0  0
 24 29  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 70  1  0  0  0  0
 26 28  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  1  0  0  0  0
 28 76  1  0  0  0  0
 29 37  2  0  0  0  0
 29 38  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 78  1  0  0  0  0
 32 35  1  0  0  0  0
 32 79  1  0  0  0  0
 32 80  1  0  0  0  0
 33 81  1  0  0  0  0
 33 82  1  0  0  0  0
 33 83  1  0  0  0  0
 34 84  1  0  0  0  0
 34 85  1  0  0  0  0
 34 86  1  0  0  0  0
 35 44  1  0  0  0  0
 35 88  1  0  0  0  0
 35 89  1  0  0  0  0
 36 41  1  0  0  0  0
 36 90  1  0  0  0  0
 36 91  1  0  0  0  0
 37 45  1  0  0  0  0
 37 92  1  0  0  0  0
 38 46  2  0  0  0  0
 38 93  1  0  0  0  0
 39 42  1  0  0  0  0
 39 96  1  0  0  0  0
 39 97  1  0  0  0  0
 40 43  1  0  0  0  0
 40 94  1  0  0  0  0
 40 95  1  0  0  0  0
 42 98  1  0  0  0  0
 42 99  1  0  0  0  0
 43100  1  0  0  0  0
 43101  1  0  0  0  0
 44 48  2  0  0  0  0
 44 49  1  0  0  0  0
 45 47  2  0  0  0  0
 45102  1  0  0  0  0
 46 47  1  0  0  0  0
 46103  1  0  0  0  0
 47104  1  0  0  0  0
 48 50  1  0  0  0  0
 48105  1  0  0  0  0
 49 51  2  0  0  0  0
 49106  1  0  0  0  0
 50 52  2  0  0  0  0
 50107  1  0  0  0  0
 51 52  1  0  0  0  0
 51108  1  0  0  0  0
 52109  1  0  0  0  0
M  END

$$$$
D00UXT
  -OEChem-04152122302D

 22 21  0     0  0  0  0  0  0999 V2000
    2.8660    0.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  5 16  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  CHG  2   4   1   5  -1
M  END

$$$$
D00UYE
  -OEChem-10121501192D

 39 40  0     0  0  0  0  0  0999 V2000
    3.5000    1.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6736    2.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -1.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -1.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7660    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5924    1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057    0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3584    2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4718    1.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981    2.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766   -0.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781    0.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219    0.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5234   -0.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781   -1.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766   -1.0275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5234   -1.0275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219   -1.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800   -2.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -2.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0098    2.2045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8134    0.0550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2508    3.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0544    1.0963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7731    2.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    2.3089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    2.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  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  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END

$$$$
D00UZR
  -OEChem-10101305032D

 62 66  0     0  0  0  0  0  0999 V2000
    2.8660   -0.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3580   -0.4948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000    1.5023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    2.4956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0000    1.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -2.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -2.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6038    2.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3320    1.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4718    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    1.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680    1.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00VFE
  -OEChem-04152122292D

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 48100  1  0  0  0  0
 48101  1  0  0  0  0
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 49102  1  0  0  0  0
 51104  1  0  0  0  0
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 53 56  1  0  0  0  0
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 53106  1  0  0  0  0
 54107  1  0  0  0  0
 54108  1  0  0  0  0
 54109  1  0  0  0  0
 55110  1  0  0  0  0
 55111  1  0  0  0  0
 55112  1  0  0  0  0
 57 58  1  0  0  0  0
 57113  1  0  0  0  0
 57114  1  0  0  0  0
 58 61  1  0  0  0  0
 58116  1  0  0  0  0
 58117  1  0  0  0  0
 59 62  1  0  0  0  0
 59118  1  0  0  0  0
 60 63  2  0  0  0  0
 60119  1  0  0  0  0
 61121  1  0  0  0  0
 61122  1  0  0  0  0
 62 65  2  0  0  0  0
 62123  1  0  0  0  0
 63 65  1  0  0  0  0
 63124  1  0  0  0  0
 64 66  1  0  0  0  0
 66125  1  0  0  0  0
 66126  1  0  0  0  0
 68129  1  0  0  0  0
 68130  1  0  0  0  0
 68131  1  0  0  0  0
 69 70  1  0  0  0  0
 69136  1  0  0  0  0
 69137  1  0  0  0  0
 69138  1  0  0  0  0
M  END

$$$$
D00VUL
  -OEChem-10121501432D

 27 28  0     0  0  0  0  0  0999 V2000
    6.3301   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D00VZZ
  -OEChem-10191523062D

 57 60  0     1  0  0  0  0  0999 V2000
    2.5357   -2.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5179    2.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968   -0.4507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.9288   -0.4507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.2868   -0.9575    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2787   -1.9991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1968    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0628    1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789   -1.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750    0.8540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.1808   -2.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4586    0.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1642    2.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21  1  1  6  0  0  0
  1 57  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  6  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  1  0  0  0
  5  6  1  0  0  0  0
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  5 26  1  6  0  0  0
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  6 18  1  1  0  0  0
  7  8  1  0  0  0  0
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 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  1  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 20  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 21  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
M  END

$$$$
D00WAM
  -OEChem-10121501172D

 28 29  0     0  0  0  0  0  0999 V2000
    6.5222   -0.7434    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4874   -0.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 10 25  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END

$$$$
D00WCX
  -OEChem-10111523532D

 45 46  0     0  0  0  0  0  0999 V2000
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 10 28  1  0  0  0  0
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 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
M  END

$$$$
D00WMK
  -OEChem-10101305032D

131136  0     1  0  0  0  0  0999 V2000
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 68 69  1  0  0  0  0
 68130  1  0  0  0  0
 69131  1  0  0  0  0
M  END

$$$$
D00WUF
  -OEChem-10121500382D

 28 27  0     1  0  0  0  0  0999 V2000
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  1 11  1  0  0  0  0
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 10 23  1  0  0  0  0
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M  END

$$$$
D00WVW
  -OEChem-04152109142D

 72 69  0     0  0  0  0  0  0999 V2000
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 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
M  END

$$$$
D00XHD
  -OEChem-10101305032D

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    9.8622   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3476   -1.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8545   -2.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3199   -3.0682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5351   -3.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0195   -2.2652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1215   -1.4565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3979   -0.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0201   -1.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6401   -2.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    1.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 20  1  0  0  0  0
  2 28  1  0  0  0  0
  3 24  2  0  0  0  0
  4 27  1  0  0  0  0
  4 52  1  0  0  0  0
  5 27  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  2  0  0  0  0
 19 22  2  0  0  0  0
 19 43  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 25 44  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END

$$$$
D00XPC
  -OEChem-04152108462D

 64 67  0     1  0  0  0  0  0999 V2000
   10.8722    1.6516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0182    0.3484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489   -3.4869    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0319    1.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5576    2.3863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1931    3.1238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.5824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.4176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.9176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.4176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.8871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.0824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6610    0.5824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7510   -0.9245    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5431   -1.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.4869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7430   -1.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1493    1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4163    0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    1.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4996    3.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5480    3.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.2629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.5573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    1.5573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2046    0.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    1.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -1.8436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    1.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1087   -2.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9229   -0.5376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5429    0.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8100   -3.1358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7146    0.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5074    0.6337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -0.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9888    3.8678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2094    4.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3574    3.7695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580    2.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385    2.5895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
 12  2  1  6  0  0  0
 21  3  1  6  0  0  0
 13  4  1  6  0  0  0
  4 30  1  0  0  0  0
 17  5  1  1  0  0  0
  5 55  1  0  0  0  0
  6 23  2  0  0  0  0
  7 30  2  0  0  0  0
  8 31  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 20  1  1  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 34  1  6  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 35  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 24  1  1  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  1  0  0  0  0
 18 25  1  1  0  0  0
 18 26  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 29  2  0  0  0  0
 26 54  1  0  0  0  0
 27 31  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 31  1  0  0  0  0
 29 59  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
M  END

$$$$
D00XUN
  -OEChem-04152122252D

 19 16  0     1  0  0  0  0  0999 V2000
    5.2320    0.5000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000   -0.5000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.3660    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.7320   -0.3660    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0584    1.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9737    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  2  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  4   3   1   4   1   8  -1   9  -1
M  END

$$$$
D00XWD
  -OEChem-04152109192D

 45 46  0     0  0  0  0  0  0999 V2000
    2.8660   -0.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.3728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    0.8058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.3934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    2.5007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2814    0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9492   -0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6350    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9277   -0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8077    0.8016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0501    1.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
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 10 11  2  0  0  0  0
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 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
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 14 32  1  0  0  0  0
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 17 37  1  0  0  0  0
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 20 39  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D00YLW
  -OEChem-10101305022D

 44 48  0     1  0  0  0  0  0999 V2000
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 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D00YVF
  -OEChem-04152111212D

577585  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00YWP
  -OEChem-10121501022D

 46 49  0     1  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
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M  END

$$$$
D00YZA
  -OEChem-10121501432D

 23 25  0     0  0  0  0  0  0999 V2000
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 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END

$$$$
D00YZD
  -OEChem-10121501302D

 49 52  0     1  0  0  0  0  0999 V2000
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 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D00ZCN
  -OEChem-04152108572D

165168  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00ZCT
  -OEChem-04152110412D

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M  END

$$$$
D00ZFP
  -OEChem-10111523572D

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  2 20  1  0  0  0  0
  2 42  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  1  0  0  0
  5  6  1  0  0  0  0
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  5 22  1  1  0  0  0
  6  9  1  0  0  0  0
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  7  9  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
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  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
M  END

$$$$
D00ZOF
  -OEChem-04152110472D

 12 10  0     1  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END

$$$$
D00ZTD
  -OEChem-10101305022D

 64 68  0     0  0  0  0  0  0999 V2000
    5.0208   -2.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8298   -3.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2  3  1  0  0  0  0
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  6 64  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
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  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
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  8 30  1  0  0  0  0
 10 13  1  0  0  0  0
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 10 32  1  0  0  0  0
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 13 37  1  0  0  0  0
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 15 33  1  0  0  0  0
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 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
M  END

$$$$
D01AHO
  -OEChem-10111523232D

196201  0     1  0  0  0  0  0999 V2000
    2.0000    2.9681    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.7259   -4.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8488   -3.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.9681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0940   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.9681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    4.9681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 93187  1  0  0  0  0
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100101  2  0  0  0  0
100195  1  0  0  0  0
101196  1  0  0  0  0
M  END

$$$$
D01AJY
  -OEChem-04152108462D

 26 26  0     1  0  0  0  0  0999 V2000
    4.2690   -3.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 18  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
M  END

$$$$
D01AQT
  -OEChem-04152109402D

 67 71  0     1  0  0  0  0  0999 V2000
    3.4403   -1.6897    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10 34  2  0  0  0  0
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 11 13  1  0  0  0  0
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 14 44  1  0  0  0  0
 15 19  1  6  0  0  0
 15 21  1  0  0  0  0
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 16 45  1  0  0  0  0
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 17 46  1  0  0  0  0
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 18 48  1  0  0  0  0
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 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 28  2  0  0  0  0
 21 29  1  0  0  0  0
 22 51  1  0  0  0  0
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 23 53  1  0  0  0  0
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 25 30  1  0  0  0  0
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 26 31  2  0  0  0  0
 26 60  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  2  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 63  1  0  0  0  0
 32 35  2  0  0  0  0
 32 64  1  0  0  0  0
 33 35  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 36 67  1  0  0  0  0
M  END

$$$$
D01AXB
  -OEChem-10111523382D

 40 42  0     1  0  0  0  0  0999 V2000
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    2.8660    0.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 35  1  0  0  0  0
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 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D01AYJ
  -OEChem-10101305022D

 47 48  0     1  0  0  0  0  0999 V2000
    6.3301    0.6657    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    2.8660   -3.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 29  1  0  0  0  0
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 17 21  2  0  0  0  0
 17 44  1  0  0  0  0
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 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 22  3  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
M  END

$$$$
D01AZG
  -OEChem-10121502022D

 57 61  0     0  0  0  0  0  0999 V2000
    2.0000   -0.1446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7715    0.8316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9055    2.3316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093   -0.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093    0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6654    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 23  1  0  0  0  0
 16 24  2  0  0  0  0
 17 25  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 30  2  0  0  0  0
 28 56  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D01BQC
  -OEChem-04152108462D

 53 56  0     1  0  0  0  0  0999 V2000
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    3.0800   -0.7193    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6078   -2.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289   -1.0284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4909    0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27  8  1  1  0  0  0
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 27 43  1  0  0  0  0
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 30 33  1  0  0  0  0
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 31 47  1  0  0  0  0
 32 48  1  0  0  0  0
 32 49  1  0  0  0  0
 33 35  2  0  0  0  0
 33 50  1  0  0  0  0
 34 35  1  0  0  0  0
 34 51  1  0  0  0  0
 35 52  1  0  0  0  0
M  END

$$$$
D01BQK
  -OEChem-02061504072D

 12 10  0     0  0  0  0  0  0999 V2000
    1.4030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5369    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END

$$$$
D01BYB
  -OEChem-04152109202D

 47 49  0     1  0  0  0  0  0999 V2000
    8.4752    2.2720    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.1980    2.4500    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.9209    2.6281    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1109    2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5073    1.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 22  5  1  6  0  0  0
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 23  6  1  6  0  0  0
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 27 29  1  0  0  0  0
 28 40  1  0  0  0  0
 29 30  2  0  0  0  0
 31 41  1  0  0  0  0
M  END

$$$$
D01CKY
  -OEChem-04152108482D

 54 55  0     1  0  0  0  0  0999 V2000
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 18 22  2  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  CHG  2   2   1   5  -1
M  END

$$$$
D01CRB
  -OEChem-10121500272D

 24 24  0     1  0  0  0  0  0999 V2000
    4.5981    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 23  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  2  0  0  0  0
  6  4  1  1  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
M  END

$$$$
D01CYA
  -OEChem-04152108482D

 46 46  0     0  0  0  0  0  0999 V2000
    0.0000    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0180    7.8426    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7260    1.7680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2260    0.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1424    4.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1424    2.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7260    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7260    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2260    2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4530    5.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2260    2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3086    3.7120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6183    4.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6434    2.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3336    2.0234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0424    5.0626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6456    5.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8086    2.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1183    3.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4675    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1215    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    1.2310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    7.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 46  1  0  0  0  0
  4 24  1  0  0  0  0
  4 45  1  0  0  0  0
  5 24  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 21  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 24  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D01DBQ
  -OEChem-10121501002D

 78 85  0     1  0  0  0  0  0999 V2000
    4.3358    5.0989    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1990    0.0199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529    2.9865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5826   -1.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0530    2.9934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493   -4.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9012   -5.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -4.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972   -3.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 53  1  0  0  0  0
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 28 33  1  0  0  0  0
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 29 31  1  0  0  0  0
 29 58  1  0  0  0  0
 30 32  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  2  0  0  0  0
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 33 61  1  0  0  0  0
 34 38  1  0  0  0  0
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 35 37  2  0  0  0  0
 35 63  1  0  0  0  0
 36 41  1  0  0  0  0
 36 64  1  1  0  0  0
 37 40  1  0  0  0  0
 38 40  2  0  0  0  0
 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 69  1  0  0  0  0
 43 44  2  0  0  0  0
 43 71  1  0  0  0  0
 44 72  1  0  0  0  0
 45 73  1  0  0  0  0
 45 74  1  0  0  0  0
 45 75  1  0  0  0  0
 46 76  1  0  0  0  0
 46 77  1  0  0  0  0
 46 78  1  0  0  0  0
M  END

$$$$
D01DSP
  -OEChem-10101305022D

 45 47  0     1  0  0  0  0  0999 V2000
    6.3301   -0.6649    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486   -1.0725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9101    1.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1373    0.3446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6656   -3.1982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1649    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2044   -0.1691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2044    0.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8765   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5822   -1.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2543   -1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2208   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9935   -2.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9264   -2.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6991   -3.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0736   -1.6840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3825   -0.9257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3943   -2.9057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5256   -2.0736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375   -4.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  2  0  0  0  0
  4 18  1  0  0  0  0
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  5 19  1  0  0  0  0
  5 38  1  0  0  0  0
  6 19  2  0  0  0  0
  7 20  2  0  0  0  0
  8 22  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 13 10  1  1  0  0  0
 10 20  1  0  0  0  0
 10 33  1  0  0  0  0
 11 27  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  6  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 24  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D01EKQ
  -OEChem-04152108592D

 39 34  0     0  0  0  0  0  0999 V2000
    4.8301    1.4232    0.0000 Fe  3  2  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6748    0.0000 Fe  3  2  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6748    0.0000 Fe  3  2  0  0  0  0  0  0  0  0  0  0
    6.8301   -2.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8980    0.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1748    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1748    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3301    0.5572    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3301    2.2893    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   12.0843   -2.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 18  1  0  0  0  0
  4 38  1  0  0  0  0
  5 19  1  0  0  0  0
  5 39  1  0  0  0  0
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  8 24  2  0  0  0  0
  9 25  2  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 26  2  0  0  0  0
 15 27  2  0  0  0  0
 16 28  2  0  0  0  0
 17 29  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 24  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
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 21 27  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 28  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 29  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  8   1   2   2   2   3   2   6  -1   7  -1  10  -1  11  -1  12  -1
M  CHG  1  13  -1
M  ISO  3   1  59   2  59   3  59
M  END

$$$$
D01FFA
  -OEChem-10101305032D

 51 54  0     1  0  0  0  0  0999 V2000
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 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END

$$$$
D01FGR
  -OEChem-10111523242D

 40 41  0     0  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2554    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 15  1  0  0  0  0
  8 25  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10 17  2  0  0  0  0
 10 27  1  0  0  0  0
 11 16  2  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  2  0  0  0  0
 14 35  1  0  0  0  0
 15 19  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 40  1  0  0  0  0
 19 39  1  0  0  0  0
M  END

$$$$
D01FJT
  -OEChem-04152108382D

 26 25  0     1  0  0  0  0  0999 V2000
    2.5369   -1.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 24  1  0  0  0  0
  2 12  1  0  0  0  0
  2 25  1  0  0  0  0
  3  9  2  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  2  0  0  0  0
  8  6  1  1  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END

$$$$
D01GBY
  -OEChem-10121501132D

 41 44  0     0  0  0  0  0  0999 V2000
    2.0000    2.0417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.9714   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   -1.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714   -1.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9364    1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7384    1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3374    2.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7139    2.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1839    0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 35  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
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 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 36  1  0  0  0  0
 17 20  2  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D01GPA
          01210517112D 1   1.00000     0.00000     0

129128  0     0  0            999 V2000
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   -3.9125   -0.1417    0.0000 C   0  0  0  0  0  0           0  0  0
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   11.3917   -1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9000   -3.9917    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0708    0.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2917    0.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4542   -0.1417    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.2333   -0.1417    0.0000 C   0  0  0  0  0  0           0  0  0
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M  END

$$$$
D01GUS
  -OEChem-04152109342D

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 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 53  1  0  0  0  0
 23 25  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 31  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 31 34  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 35  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 35 36  1  0  0  0  0
 35 68  1  0  0  0  0
 35 69  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
M  END

$$$$
D01GYK
  SciTegic01161211262D

 10  9  0  0  0  0            999 V2000
    0.0875  -17.0542    0.0000 C   0  0  1  0  0  0
    0.7042  -17.4125    0.0000 C   0  0  2  0  0  0
   -0.5250  -17.4125    0.0000 C   0  0
    1.3167  -17.0542    0.0000 C   0  0
   -0.5250  -18.1292    0.0000 O   0  0
    1.3167  -16.3417    0.0000 O   0  0
    0.0875  -16.3500    0.0000 S   0  0
    0.7042  -18.1292    0.0000 S   0  0
    1.9292  -17.4125    0.0000 O   0  0
   -1.1458  -17.0542    0.0000 O   0  0
  2  1  1  0
  3  1  1  0
  4  2  1  0
  5  3  2  0
  6  4  2  0
  1  7  1  1
  2  8  1  6
  9  4  1  0
 10  3  1  0
M  END

$$$$
D01GYT
  -OEChem-10101305032D

 15 15  0     1  0  0  0  0  0999 V2000
    4.3660    0.0280    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.0280    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5000   -0.4720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0000   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265   -0.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9011   -0.3115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6760    0.5649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030    1.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  6  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END

$$$$
D01HKL
  -OEChem-10101305022D

 57 57  0     0  0  0  0  0  0999 V2000
   12.6002    8.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5380    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    3.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7700    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7700    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    5.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    5.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    3.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    2.9070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    3.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    5.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    5.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    4.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    3.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    3.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    3.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    0.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0800    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3070    0.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3070    2.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4600    2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    2.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    5.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    6.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 12  1  0  0  0  0
  2 43  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 17  2  0  0  0  0
  6 23  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 55  1  0  0  0  0
 27 29  2  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 57  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D01HNL
  -OEChem-10101305022D

 17 17  0     1  0  0  0  0  0999 V2000
    4.8479    1.9814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849   -1.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.3665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.0877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.1723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791   -1.3749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.2213    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2601    1.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -1.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.9865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9809    0.3271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956    1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8080   -1.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1399   -0.9600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
M  END

$$$$
D01HPY
          07091100302D 1   1.00000     0.00000     0

 33 34  0     1  0            999 V2000
   -0.2514   -0.8791    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2526   -1.7815    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5289   -2.2319    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3078   -1.7810    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3050   -0.8755    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5271   -0.4289    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0831   -0.4233    0.0000 N   0  0  3  0  0  0           0  0  0
    2.8638   -0.8712    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0806    0.4767    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8588    0.9288    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8563    1.8288    0.0000 Cl  0  0  0  0  0  0           0  0  0
    3.6420   -0.4190    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4227   -0.8668    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -1.0321   -2.2313    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0323   -3.1313    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.8119   -3.5811    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.2530   -3.5815    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2533   -4.4815    0.0000 O   0  0  0  0  0  0           0  0  0
    0.5265   -3.1317    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3058   -3.5819    0.0000 C   0  0  2  0  0  0           0  0  0
    2.0853   -3.1321    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3044   -4.4822    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8647   -3.5823    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0856   -2.2321    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6442   -3.1325    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4235   -3.5827    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7501   -5.1853    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1366   -5.0537    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6906   -5.7558    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3590   -6.5885    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5320   -6.7147    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0821   -6.0114    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9152   -7.2960    0.0000 F   0  0  0  0  0  0           0  0  0
 15 16  1  1     0  0
 15 17  1  0     0  0
  7  8  1  0     0  0
 17 18  2  0     0  0
  3  4  2  0     0  0
 17 19  1  0     0  0
  7  9  1  0     0  0
 19 20  1  0     0  0
  1  2  2  0     0  0
 20 21  1  0     0  0
  9 10  1  0     0  0
 20 22  1  6     0  0
  4  5  1  0     0  0
 21 23  1  0     0  0
 10 11  1  0     0  0
 21 24  2  0     0  0
 23 25  1  0     0  0
  8 12  1  0     0  0
 25 26  1  0     0  0
  5  6  2  0     0  0
 22 27  1  0     0  0
 12 13  1  0     0  0
 27 28  2  0     0  0
  6  1  1  0     0  0
 28 29  1  0     0  0
  2 14  1  0     0  0
 29 30  2  0     0  0
  2  3  1  0     0  0
 30 31  1  0     0  0
 14 15  1  0     0  0
 31 32  2  0     0  0
 32 27  1  0     0  0
  5  7  1  0     0  0
 30 33  1  0     0  0
M  END

$$$$
D01HTL
  -OEChem-10121501102D

111119  0     1  0  0  0  0  0999 V2000
    6.7316   -4.8271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9991   -2.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7422   -3.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5344   -4.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1015    1.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0188   -5.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997    0.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0237    0.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3052   -2.5984    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.3846   -1.5978    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01HVT
  -OEChem-03081904032D

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M  END

$$$$
D01ICI
  -OEChem-03141904472D

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M  END

$$$$
D01IEM
  -OEChem-08301509472D

 24 25  0     1  0  0  0  0  0999 V2000
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 17 24  1  0  0  0  0
M  END

$$$$
D01IRG
  -OEChem-03101900402D

138145  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01IWS
  -OEChem-04152110062D

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M  END

$$$$
D01IXD
          02081101012D 1   1.00000     0.00000     0

 31 35  0     1  0            999 V2000
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 10  1  1  0     0  0
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  5 10  2  0     0  0
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 11 12  1  0     0  0
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  1 14  2  0     0  0
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 15 16  3  0     0  0
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  2 18  1  0     0  0
 18 19  2  0     0  0
 18 20  1  0     0  0
  7 21  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 22 29  1  0     0  0
 23 24  1  0     0  0
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 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 24 30  1  6     0  0
 29 31  1  1     0  0
M  END

$$$$
D01JEU
  -OEChem-10121500222D

 34 36  0     1  0  0  0  0  0999 V2000
    2.5989   -0.0611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422    0.6801    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  4 11  1  0  0  0  0
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 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 25  1  0  0  0  0
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 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END

$$$$
D01JFT
  -OEChem-10191522532D

 54 54  0     1  0  0  0  0  0999 V2000
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 35  1  0  0  0  0
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 17 36  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 24  1  0  0  0  0
 21 45  1  0  0  0  0
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 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
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 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END

$$$$
D01JGV
  -OEChem-04152109022D

 50 54  0     1  0  0  0  0  0999 V2000
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 26 48  1  0  0  0  0
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 26 50  1  0  0  0  0
M  END

$$$$
D01JIA
  -OEChem-10121501192D

 20 19  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01JMC
  -OEChem-10121500002D

 27 28  0     1  0  0  0  0  0999 V2000
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  4  6  2  0  0  0  0
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  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$
D01JQJ
  -OEChem-02061504012D

 21 21  0     1  0  0  0  0  0999 V2000
    7.5961    0.5282    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -0.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5896    0.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.1681    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9019    0.1681    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5929    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530   -0.1410    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3328   -0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0609   -1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869   -0.4443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9989   -0.4443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9864    1.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    0.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442   -0.5227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239   -0.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6673   -0.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END

$$$$
D01JUF
  -OEChem-10121500312D

 40 42  0     0  0  0  0  0  0999 V2000
    2.5326   -2.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647    0.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    2.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    2.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    1.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    3.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987    3.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    1.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307   -1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    1.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    2.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -2.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2647   -2.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7288    2.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    0.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866    0.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9635    3.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8339    3.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9967    2.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4188    2.8275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -3.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 40  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 28  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 12 17  2  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 13 31  1  0  0  0  0
 14 19  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D01KHH
  -OEChem-10121501132D

 42 44  0     0  0  0  0  0  0999 V2000
    3.1509   -2.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840    1.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8049   -0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7480   -1.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9749   -2.1322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 36  1  0  0  0  0
 19 35  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 37  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D01KKQ
  -OEChem-10121501322D

 54 56  0     1  0  0  0  0  0999 V2000
    9.0949    1.2242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701   -1.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8846   -0.7093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4578   -0.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4974   -4.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1001   -3.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4696   -0.0109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8728   -0.9261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3981    2.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2819   -1.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    2.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6851   -2.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0722    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4755    0.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5756    1.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8669   -1.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0942   -3.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2391   -0.4259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7665   -2.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1141   -3.0956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2004   -2.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8359    0.4892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    4.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 32 52  1  0  0  0  0
M  END

$$$$
D01KOA
  -OEChem-03141904472D

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M  END

$$$$
D01KPV
  -OEChem-10121500292D

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M  END

$$$$
D01KQA
  -OEChem-10111523312D

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M  END

$$$$
D01KTN
  -OEChem-04152109332D

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 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 31  1  0  0  0  0
 27 48  1  0  0  0  0
 28 36  2  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 31 37  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
 36 60  1  0  0  0  0
 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
 37 63  1  0  0  0  0
M  END

$$$$
D01MDT
  -OEChem-10121501262D

 24 26  0     0  0  0  0  0  0999 V2000
    2.7166   -0.4547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8446   -1.4547    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.6386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2610   -2.2594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D01MGA
          01280518002D 1   1.00000     0.00000     0

 47 50  0     1  0            999 V2000
    1.9000   -3.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2792   -3.1792    0.0000 N   0  0  3  0  0  0           0  0  0
    4.8917   -2.9292    0.0000 C   0  0  1  0  0  0           0  0  0
    4.5500   -2.3292    0.0000 C   0  0  2  0  0  0           0  0  0
    5.2417   -2.3375    0.0000 C   0  0  2  0  0  0           0  0  0
    1.9000   -4.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6667   -4.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5167   -3.1792    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7500   -3.1792    0.0000 N   0  0  3  0  0  0           0  0  0
    1.2792   -4.6125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6667   -3.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1417   -3.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0417   -4.8667    0.0000 S   0  0  3  0  0  0           0  0  0
    5.8542   -1.9875    0.0000 N   0  0  0  0  0  0           0  0  0
    4.4042   -3.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8292   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2792   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5167   -4.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4750   -2.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0500   -4.6125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1417   -4.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3375   -2.0125    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.0917   -2.0000    0.0000 C   0  0  1  0  0  0           0  0  0
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    1.9000   -2.1125    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3917   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
    8.6792   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
    1.2792   -5.3167    0.0000 O   0  0  0  0  0  0           0  0  0
    6.4750   -3.0542    0.0000 O   0  0  0  0  0  0           0  0  0
    8.3500   -1.3000    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0500   -5.3167    0.0000 O   0  0  0  0  0  0           0  0  0
    9.6542   -5.2292    0.0000 O   0  0  0  0  0  0           0  0  0
    8.9542   -2.3667    0.0000 C   0  0  1  0  0  0           0  0  0
    1.2792   -1.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7542   -4.6042    0.0000 F   0  0  0  0  0  0           0  0  0
    0.0500   -2.4750    0.0000 F   0  0  0  0  0  0           0  0  0
   -0.5708   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
    8.4292   -5.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9000   -1.4000    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5667   -2.0167    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2792   -0.3292    0.0000 F   0  0  0  0  0  0           0  0  0
    7.1042   -1.2875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9542   -3.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2000   -1.7125    0.0000 H   0  0  0  0  0  0           0  0  0
    5.2542   -3.5500    0.0000 H   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3 15  1  0     0  0
  4 16  1  0     0  0
  5  3  1  0     0  0
  6  1  2  0     0  0
  7 11  2  0     0  0
  8  1  1  0     0  0
  9 12  1  0     0  0
 10  6  1  0     0  0
 11  2  1  0     0  0
 12  8  2  0     0  0
  5 14  1  6     0  0
 15  9  1  0     0  0
 16  9  1  0     0  0
 17  2  1  0     0  0
 18  6  1  0     0  0
 19 14  1  0     0  0
 20  7  1  0     0  0
 21 12  1  0     0  0
 22 23  1  0     0  0
 23 25  1  0     0  0
 24 17  2  0     0  0
 25 19  1  0     0  0
 26 24  1  0     0  0
 27 17  1  0     0  0
 28 13  2  0     0  0
 29 13  2  0     0  0
 30 10  2  0     0  0
 31 19  2  0     0  0
 32 22  2  0     0  0
 33 20  2  0     0  0
 34 13  1  0     0  0
 35 22  1  0     0  0
 36 41  1  0     0  0
 37 21  1  0     0  0
 38 24  1  0     0  0
 39 20  1  0     0  0
 40 13  1  0     0  0
 41 27  2  0     0  0
 42 35  1  0     0  0
 43 36  1  0     0  0
 25 44  1  6     0  0
 35 45  1  1     0  0
  4 46  1  6     0  0
  3 47  1  6     0  0
 10  7  1  0     0  0
 18 21  2  0     0  0
 36 26  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
M  END

$$$$
D01MML
  -OEChem-04152110142D

 57 58  0     1  0  0  0  0  0999 V2000
    5.4641   -4.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    4.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1340    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6340    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1042    1.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
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 10 25  2  0  0  0  0
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 14 12  1  6  0  0  0
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 16 23  1  0  0  0  0
 17 20  1  0  0  0  0
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 17 38  1  0  0  0  0
 18 22  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 25  1  0  0  0  0
 19 41  1  0  0  0  0
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 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 24 26  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 30 55  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END

$$$$
D01MUR
  -OEChem-10121500582D

 44 45  0     1  0  0  0  0  0999 V2000
    7.1962    1.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    1.6217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    0.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5920    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5920    0.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9020    0.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  6 21  1  0  0  0  0
  6 23  1  0  0  0  0
  9 13  1  0  0  0  0
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 12 10  1  1  0  0  0
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 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
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 20 22  1  0  0  0  0
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 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D01NJI
  -OEChem-10101305032D

 56 56  0     1  0  0  0  0  0999 V2000
    7.4040    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5369    3.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681    5.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    7.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7341    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2690    3.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4006    6.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7934    4.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
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  6  9  1  0  0  0  0
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  7 10  1  0  0  0  0
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  8 23  2  0  0  0  0
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 10 32  1  0  0  0  0
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 13 18  2  0  0  0  0
 14 36  1  0  0  0  0
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 15 38  1  0  0  0  0
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 15 40  1  0  0  0  0
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 16 42  1  0  0  0  0
 17 20  2  0  0  0  0
 17 43  1  0  0  0  0
 18 22  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  2  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D01NLB
  -OEChem-10191522542D

349352  0     1  0  0  0  0  0999 V2000
   11.1532    2.5459    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.5332    2.7376    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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165315  1  0  0  0  0
166316  1  0  0  0  0
166317  1  0  0  0  0
168169  1  0  0  0  0
169319  1  0  0  0  0
169320  1  0  0  0  0
171323  1  0  0  0  0
171324  1  0  0  0  0
172326  1  0  0  0  0
172327  1  0  0  0  0
174176  1  0  0  0  0
174328  1  0  0  0  0
174329  1  0  0  0  0
175330  1  0  0  0  0
175331  1  0  0  0  0
175332  1  0  0  0  0
M  END

$$$$
D01NQM
  -OEChem-10121500152D

 45 47  0     0  0  0  0  0  0999 V2000
    2.0000   -2.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 27  1  0  0  0  0
  4 14  2  0  0  0  0
  5 21  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  2  0  0  0  0
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  8 18  1  0  0  0  0
  8 21  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
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 13 35  1  0  0  0  0
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 15 37  1  0  0  0  0
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 17 40  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
M  END

$$$$
D01NTX
  -OEChem-04152110112D

194194  0     1  0  0  0  0  0999 V2000
   19.3205   -5.6900    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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   32.3109   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   30.5788    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   32.3109   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8468   -4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01OIL
  -OEChem-10101305032D

125122  0     1  0  0  0  0  0999 V2000
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   15.4797    8.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0812    8.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2586    7.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6571    6.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6137    9.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2152   10.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5265   10.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250    9.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7046   16.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    8.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5706   17.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    9.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    9.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7647   17.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8132    6.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2118    7.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4366   16.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8705    8.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    8.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6696   12.0949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   12.0949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2152   11.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6137   11.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    9.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    9.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1643   17.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3672   17.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    7.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6307   15.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5706   18.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981   10.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7647   18.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    7.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4366   15.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7911    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3925    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3936   16.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1666   16.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0136   15.8931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    9.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    8.3331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    9.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1687   16.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4672    9.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4061    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   11.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4061    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0031    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 34  2  1  6  0  0  0
  2 99  1  0  0  0  0
 33  3  1  6  0  0  0
  3100  1  0  0  0  0
  4 41  1  0  0  0  0
  4 53  1  0  0  0  0
 35  5  1  6  0  0  0
  5101  1  0  0  0  0
 36  6  1  6  0  0  0
  6102  1  0  0  0  0
 37  7  1  6  0  0  0
  7105  1  0  0  0  0
 38  8  1  6  0  0  0
  8106  1  0  0  0  0
 42  9  1  1  0  0  0
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 43 10  1  1  0  0  0
 10108  1  0  0  0  0
 11 49  1  0  0  0  0
 11117  1  0  0  0  0
 12 50  1  0  0  0  0
 12118  1  0  0  0  0
 13 46  1  0  0  0  0
 14 46  2  0  0  0  0
 15 51  1  0  0  0  0
 15119  1  0  0  0  0
 16 51  2  0  0  0  0
 17 52  1  0  0  0  0
 18 52  2  0  0  0  0
 19 54  1  0  0  0  0
 19122  1  0  0  0  0
 20 54  2  0  0  0  0
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 23 28  1  0  0  0  0
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 30 32  1  0  0  0  0
 30 68  1  0  0  0  0
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 31 41  1  0  0  0  0
 31 46  1  0  0  0  0
 31 70  1  0  0  0  0
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 32 72  1  0  0  0  0
 33 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 73  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 74  1  0  0  0  0
 35 43  1  0  0  0  0
 35 75  1  0  0  0  0
 36 42  1  0  0  0  0
 36 76  1  0  0  0  0
 37 44  1  0  0  0  0
 37 77  1  0  0  0  0
 38 45  1  0  0  0  0
 38 78  1  0  0  0  0
 39 51  1  0  0  0  0
 39 79  1  0  0  0  0
 39 80  1  0  0  0  0
 40 52  1  0  0  0  0
 40 81  1  0  0  0  0
 40 82  1  0  0  0  0
 41 83  1  0  0  0  0
 41 84  1  0  0  0  0
 42 49  1  0  0  0  0
 42 85  1  0  0  0  0
 43 50  1  0  0  0  0
 43 86  1  0  0  0  0
 44 89  1  0  0  0  0
 44 90  1  0  0  0  0
 45 87  1  0  0  0  0
 45 88  1  0  0  0  0
 47 54  1  0  0  0  0
 47 91  1  0  0  0  0
 47 92  1  0  0  0  0
 48 55  1  0  0  0  0
 48 93  1  0  0  0  0
 48 94  1  0  0  0  0
 49 95  1  0  0  0  0
 49 96  1  0  0  0  0
 50 97  1  0  0  0  0
 50 98  1  0  0  0  0
 53 58  1  0  0  0  0
 53109  1  0  0  0  0
 53110  1  0  0  0  0
 56111  1  0  0  0  0
 56112  1  0  0  0  0
 56113  1  0  0  0  0
 57114  1  0  0  0  0
 57115  1  0  0  0  0
 57116  1  0  0  0  0
 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
 59 61  1  0  0  0  0
 59120  1  0  0  0  0
 60 62  2  0  0  0  0
 60121  1  0  0  0  0
 61 63  2  0  0  0  0
 61123  1  0  0  0  0
 62 63  1  0  0  0  0
 62124  1  0  0  0  0
 63125  1  0  0  0  0
M  CHG  4   1   3  13  -1  17  -1  21  -1
M  END

$$$$
D01OPV
  -OEChem-04152122232D

 20 19  0     1  0  0  0  0  0999 V2000
    2.8660   -1.7500    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  2  0  0  0  0
  6  4  1  6  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  ISO  1   1  75
M  END

$$$$
D01OUE
  -OEChem-10121501112D

 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
    2.0000    0.1284    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
    2.3090    1.0794    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
    3.6734    1.5810    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
    1.9446    1.5810    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  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 14  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  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  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D01OXI
          01210517082D 1   1.00000     0.00000     0

 15 13  0     0  0            999 V2000
    4.5167   -2.8292    0.0000 N   0  0  3  0  0  0           0  0  0
    3.9042   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5167   -3.5417    0.0000 N   0  0  0  0  0  0           0  0  0
    3.9042   -1.7542    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9042   -3.8917    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2875   -2.8292    0.0000 N   0  0  0  0  0  0           0  0  0
    5.1417   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3792   -2.4667    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.4417   -2.4667    0.0000 Cl  0  0  0  0  0  0           0  0  0
    8.4417   -3.8042    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7625   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6667   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0542   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8292   -3.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2125   -3.8042    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  2  0     0  0
  5  3  2  0     0  0
  6  2  1  0     0  0
  7  1  1  0     0  0
  8 11  1  0     0  0
  9 13  1  0     0  0
 11  7  1  0     0  0
 12  6  1  0     0  0
 13 12  1  0     0  0
 14 10  1  0     0  0
 15 14  1  0     0  0
M  END

$$$$
D01PJR
  -OEChem-10121501262D

 30 30  0     1  0  0  0  0  0999 V2000
    5.4641    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
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  3  7  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
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 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D01PLN
  -OEChem-10101305032D

 42 44  0     1  0  0  0  0  0999 V2000
    6.3301   -1.5407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3245   -2.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1373   -0.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.4593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 10  1  1  0  0  0
 10 18  1  0  0  0  0
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 11 27  1  6  0  0  0
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 12 28  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  2  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D01PZD
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
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    4.6783   -1.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5763    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
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  2 20  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 19  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D01QGX
  -OEChem-04152109012D

 73 78  0     1  0  0  0  0  0999 V2000
    7.0327    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.6892    4.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4886    7.8572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7228    8.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  2  0  0  0  0
 35 71  1  0  0  0  0
 36 72  1  0  0  0  0
M  END

$$$$
D01QIN
  -OEChem-10121500002D

 76 79  0     1  0  0  0  0  0999 V2000
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 40 75  1  0  0  0  0
 41 76  1  0  0  0  0
M  END

$$$$
D01QLH
  -OEChem-02061503532D

 19 18  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01QML
  -OEChem-10121501122D

 61 64  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01QUS
  -OEChem-10111523562D

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M  END

$$$$
D01SAT
  -OEChem-10101305022D

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    5.1541    6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 38  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 16  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  2  0  0  0  0
 13 37  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D01SGK
  -OEChem-04152111342D

 37 39  0     0  0  0  0  0  0999 V2000
    2.0000   -1.1791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1791    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1847    3.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1737    3.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9371    1.2505    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7560    2.9730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1791    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5686   -0.1846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776   -1.5858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    2.0595    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    0.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3657    1.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7725    2.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7670    2.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -0.1791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -0.1791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.6422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.7160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    0.5398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491    1.6811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681    3.4036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8093    4.1791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  5 26  1  0  0  0  0
  5 36  1  0  0  0  0
  6 27  1  0  0  0  0
  6 37  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  1  0  0  0  0
  9 18  2  0  0  0  0
 10 17  1  0  0  0  0
 10 21  2  0  0  0  0
 11 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  1  0  0  0  0
 23 34  1  0  0  0  0
 24 26  2  0  0  0  0
 24 35  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  4   4  -1   7  -1   9   1  12   1
M  END

$$$$
D01SHZ
  -OEChem-10121501452D

 42 45  0     0  0  0  0  0  0999 V2000
   11.6378   -2.2441    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2071    1.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0363   -1.6863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6086    1.6855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944   -1.2057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2077   -0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1086   -0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9852    0.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5607   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148   -1.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0096   -0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6086    1.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2321    0.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8709   -2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8094   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9777   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1604    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5774   -0.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660    0.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830   -0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266    0.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7602   -2.2414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7466    2.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    1.9545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8776    2.2441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -2.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4346   -0.3692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2293   -2.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5253    0.7015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6183   -1.9179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9144    0.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545    0.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260   -0.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -1.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0654   -0.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835   -1.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346   -1.7167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 14  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 27  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 30  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 22  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END

$$$$
D01STB
  -OEChem-10121500482D

 62 64  0     1  0  0  0  0  0999 V2000
    3.4206   -1.3919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -4.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.4939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7881    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1408    1.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7078   -2.5509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7589    0.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6588   -3.8599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6588   -2.8599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7078   -4.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6051   -4.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6051   -2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -3.3599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1887   -3.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3988   -1.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -3.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679   -0.8567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0460   -1.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280    0.8375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4062    0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1190    1.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0753    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0534    1.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7226    1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7007    1.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3406    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1482    4.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0097    0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6599   -4.7099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600   -2.0099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708   -4.4789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600   -4.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540   -4.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1424   -4.4739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1424   -2.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540   -1.9883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385   -2.8075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6495   -3.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6495   -2.9452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614   -0.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524    0.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9171   -1.6710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6525   -1.1935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -0.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8216    0.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1739    0.0548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9320    0.3011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3076    1.9476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5495    1.7013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    2.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9476   -0.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0974    3.9714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    3.1917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1156    2.1608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5322   -0.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090    3.8111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5631    4.6867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    4.6408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6162    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  1  0  0  0  0
  2 47  1  0  0  0  0
  3 16  2  0  0  0  0
  4 21  1  0  0  0  0
  4 26  1  0  0  0  0
  5 21  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
 17  7  1  1  0  0  0
 19  7  1  6  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  6  0  0  0
  9 12  1  0  0  0  0
  9 32  1  6  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  1  1  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 20 22  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 53  1  0  0  0  0
 25 28  2  0  0  0  0
 25 54  1  0  0  0  0
 26 29  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 30  2  0  0  0  0
 27 57  1  0  0  0  0
 28 30  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END

$$$$
D01TNW
  -OEChem-10121500252D

 53 55  0     1  0  0  0  0  0999 V2000
    4.2690    1.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -3.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -4.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -4.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -4.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -5.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -5.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    4.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    5.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471    5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  8  3  1  6  0  0  0
  3 36  1  0  0  0  0
  9  4  1  1  0  0  0
  4 37  1  0  0  0  0
 10  5  1  1  0  0  0
  5 38  1  0  0  0  0
  6 14  1  0  0  0  0
  6 44  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  6  0  0  0
 11 32  1  0  0  0  0
 12 14  1  6  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 46  1  0  0  0  0
 24 26  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D01TQR
          10210900342D 1   1.00000     0.00000     0

 19 19  0     0  0            999 V2000
    1.2305   -4.4115    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2219   -3.5895    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5228   -4.8337    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1289   -4.8166    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4990   -3.1855    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1965   -4.4357    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8426   -4.3908    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2087   -3.6077    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5589   -4.7907    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9392   -3.2044    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4881   -4.3631    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9561   -2.3753    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6771   -1.9743    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6987   -1.1439    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4287   -0.7482    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4426    0.0827    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1742    0.4814    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1911    1.3105    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9199    1.7109    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  5  8  2  0     0  0
  7  9  1  0     0  0
  8 10  1  0     0  0
  9 11  1  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
  6  8  1  0     0  0
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT
M  SAL   1  3   4   7   9
M  SBL   1  2   3  10
M  SDI   1  4    1.5500   -5.0100    1.5500   -4.1800
M  SDI   1  4    3.8600   -4.1500    3.8600   -4.9700
M  END

$$$$
D01TSI
  -OEChem-10111523282D

 78 85  0     1  0  0  0  0  0999 V2000
    4.3933    0.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710    1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5851    4.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8554    1.3442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3743   -1.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1950    1.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2345   -0.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9064   -1.6251    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.8945   -5.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4717    2.1498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2830    1.5652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4996    1.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2956    2.9704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6617    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3666    0.3751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4844    3.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8610    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2076    3.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1624   -0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1063   -1.6182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8904   -2.6666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2384   -1.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3083    4.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0084   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0244   -3.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7564   -3.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1144   -2.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0244   -4.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7564   -4.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8904   -4.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7782   -1.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4970    4.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203    4.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9064   -5.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3743   -4.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1144   -4.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0084   -6.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977    5.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3210    5.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1063   -5.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    6.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971    1.3180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    1.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    1.3526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7986    2.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    4.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5832    3.2604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4997    2.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3599    2.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8259    3.4262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086    0.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703    0.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5555   -0.4772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359   -1.2107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7694   -0.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5712   -1.9313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6298   -2.2473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094   -0.6245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6111   -0.6214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3670   -3.2743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9685   -2.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5810   -2.9760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0820   -1.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3187   -0.8314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4744   -0.5947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01UBX
  -OEChem-04152108572D

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 58110  1  0  0  0  0
M  END

$$$$
D01UFN
  -OEChem-10101305032D

 74 76  0     1  0  0  0  0  0999 V2000
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 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
M  END

$$$$
D01UTL
  -OEChem-10111523462D

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M  END

$$$$
D01UUD
  -OEChem-10101305032D

 46 47  0     0  0  0  0  0  0999 V2000
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  1 20  1  0  0  0  0
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 15 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  2  0  0  0  0
 17 44  1  0  0  0  0
 18 20  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
M  END

$$$$
D01UXC
  -OEChem-10121500372D

 41 41  0     1  0  0  0  0  0999 V2000
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    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END

$$$$
D01VEJ
  -OEChem-03101900402D

 37 36  0     1  0  0  0  0  0999 V2000
    3.7320   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  7  1  6  0  0  0
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 17 37  1  0  0  0  0
M  END

$$$$
D01VJN
          01210517102D 1   1.00000     0.00000     0

 44 48  0     0  0            999 V2000
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  2  1  2  0     0  0
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 10  8  2  0     0  0
 11  4  1  0     0  0
 12  5  1  0     0  0
 13 25  1  0     0  0
 14  9  1  0     0  0
 15 27  1  0     0  0
 16 15  1  0     0  0
 17  7  1  0     0  0
 18  7  1  0     0  0
 19  9  1  0     0  0
 20  9  1  0     0  0
 21  9  1  0     0  0
 22 16  1  0     0  0
 23 14  1  0     0  0
 24 14  2  0     0  0
 25 18  1  0     0  0
 26 17  1  0     0  0
 27 29  2  0     0  0
 28 16  1  0     0  0
 29 24  1  0     0  0
 30 23  2  0     0  0
 31 36  1  0     0  0
 32 13  1  0     0  0
 33 10  1  0     0  0
 34 11  1  0     0  0
 35 12  1  0     0  0
 36 28  1  0     0  0
 37 22  2  0     0  0
 38 22  1  0     0  0
 39 31  1  0     0  0
 40 34  2  0     0  0
 41 35  2  0     0  0
 42 38  2  0     0  0
 43 37  1  0     0  0
 44 42  1  0     0  0
  6 10  1  0     0  0
 11 12  2  0     0  0
 13 26  1  0     0  0
 40 41  1  0     0  0
 27 30  1  0     0  0
 43 44  2  0     0  0
M  END

$$$$
D01VMO
          01210517132D 1   1.00000     0.00000     0

 26 29  0     0  0            999 V2000
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    4.3792   -1.5667    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.2167   -3.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0542   -3.9500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0542   -2.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2250   -2.7167    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.8625   -3.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1167   -3.3417    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  5  2  0     0  0
  5  2  1  0     0  0
  6  1  1  0     0  0
  7  2  1  0     0  0
  8  3  2  0     0  0
  9  7  2  0     0  0
 10  1  1  0     0  0
 11  6  1  0     0  0
 12  6  2  0     0  0
 13 16  2  0     0  0
 14  8  1  0     0  0
 15 11  2  0     0  0
 16 12  1  0     0  0
 17 13  1  0     0  0
 18  3  1  0     0  0
 19  8  1  0     0  0
 20 10  2  0     0  0
 21 10  1  0     0  0
 22 18  2  0     0  0
 23 21  2  0     0  0
 24 20  1  0     0  0
 25 22  1  0     0  0
 26 23  1  0     0  0
 15 13  1  0     0  0
  9  4  1  0     0  0
 26 24  2  0     0  0
 25 19  2  0     0  0
M  END

$$$$
D01WJL
  -OEChem-04152122242D

 18 18  0     0  0  0  0  0  0999 V2000
    2.5369    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D01WLC
  -OEChem-10121500302D

 40 42  0     1  0  0  0  0  0999 V2000
    8.9942    1.4642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.5841    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4909   -1.4482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4976    0.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3964   -0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8559   -1.7075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 13 18  1  0  0  0  0
 13 20  2  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 21 24  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END

$$$$
D01WMJ
  -OEChem-04152122232D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
M  END

$$$$
D01WUA
  -OEChem-10121500432D

 62 64  0     1  0  0  0  0  0999 V2000
    8.8531   -0.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7088   -2.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8531   -0.3786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.5586    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  1  6  0  0  0
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 18  3  1  1  0  0  0
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 10 33  1  0  0  0  0
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 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 18 44  1  0  0  0  0
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 20 23  1  0  0  0  0
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 21 48  1  0  0  0  0
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 23 24  1  0  0  0  0
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 23 51  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 55  1  0  0  0  0
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 26 28  1  0  0  0  0
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 26 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
M  END

$$$$
D01XBA
  -OEChem-10111523572D

 61 65  0     0  0  0  0  0  0999 V2000
    5.5443   -4.6342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    0.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01XDL
  -OEChem-10121501082D

 63 67  0     1  0  0  0  0  0999 V2000
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 36 63  1  0  0  0  0
M  END

$$$$
D01XLM
  -OEChem-10101305032D

 16 16  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01XNB
  -OEChem-10121500222D

 43 45  0     1  0  0  0  0  0999 V2000
    7.9939    0.1690    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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    6.4103   -0.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -1.5630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.1690    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
   10.9939    0.1690    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
   11.4939   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8310    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
    3.7320   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    1.0350    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
    7.9113   -0.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6016   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1839    1.5720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9570    0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039   -2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -1.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139   -0.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -0.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    0.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    1.6550    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
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 23  1  0  0  0  0
  4 20  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  0  0  0  0
  6 11  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  2  0  0  0  0
 15 22  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D01XOD
  -OEChem-10101305032D

 50 52  0     0  0  0  0  0  0999 V2000
    2.0000   -1.4446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -2.4446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2086   -0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.0055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.2493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    2.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727    3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -1.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019   -0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -0.2014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    2.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    1.2619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4968    0.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0901    1.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    2.4083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5232    3.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    2.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731    2.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342    3.8587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0587    3.9061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0113    3.0305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8933    1.7618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3721    2.4963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6376    2.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -3.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -3.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 27  1  0  0  0  0
  3 11  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 20  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 21  2  0  0  0  0
 17 38  1  0  0  0  0
 18 22  2  0  0  0  0
 18 39  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D01XRP
          08130700062D 1   1.00000     0.00000     0

 12 10  0     0  0            999 V2000
    5.7208    1.2458    0.0000 O   0  0  0  0  0  0           0  0  0
    6.3343    1.6000    0.0000 Si  0  0  0  0  0  0           0  0  0
    6.9477    1.2458    0.0000 O   0  0  0  0  0  0           0  0  0
    4.8352   -1.0537    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5227   -1.0537    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1810   -0.4583    0.0000 Si  0  0  3  0  0  0           0  0  0
    3.5167   -0.7458    0.0000 Si  0  0  3  0  0  0           0  0  0
    2.9261   -0.3993    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5009   -0.0958    0.0000 O   0  0  0  0  0  0           0  0  0
    6.1070   -0.1125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0125   -1.2458    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8667   -1.3583    0.0000 C   0  0  0  0  0  0           0  0  0
  8  7  1  0     0  0
  2  3  2  0     0  0
  6  5  1  0     0  0
  4  6  1  0     0  0
  7  9  1  0     0  0
  9  6  1  0     0  0
  6 10  1  0     0  0
  1  2  2  0     0  0
  7 11  1  0     0  0
  7 12  1  0     0  0
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT
M  SAL   1  4   4   5   6   9
M  SBL   1  2   5   7
M  SDI   1  4    4.1600   -0.7400    4.1600    0.0600
M  SDI   1  4    5.6500    0.1300    5.6500   -0.6700
M  END

$$$$
D01XWG
  -OEChem-10121501052D

 67 71  0     1  0  0  0  0  0999 V2000
    5.9812    0.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2493    0.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5669   -2.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    2.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296    0.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296   -3.5303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -1.1909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4780    0.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4780   -3.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3153    0.5474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840    3.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9697   -0.4956    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0636   -2.0511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0636   -1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9697   -2.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636   -1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636   -2.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210    1.0143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1326    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724    2.5242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4007    2.0342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3891    1.0343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7296   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0636   -2.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296   -2.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957   -1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957   -2.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5174    0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670   -2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -0.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -2.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3957   -1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3957   -2.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3268   -0.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3268   -2.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2706   -0.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2706   -2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1754    1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4357   -0.1805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545   -0.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527   -1.1156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760   -3.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3743   -3.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615    1.3180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7419    1.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3514    2.5943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391    2.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    1.7305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3819    0.4143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790   -3.4548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    1.0848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9769    0.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211    0.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8245    3.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7507    3.8403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288   -2.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -3.4610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051   -3.2309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2666    0.7797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927   -3.8403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3197   -3.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8063   -0.6757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8063   -2.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4916    0.5240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7088    1.3735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8593    1.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 18  1  1  6  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
 13  3  1  6  0  0  0
  3 50  1  0  0  0  0
 21  4  1  1  0  0  0
  4 59  1  0  0  0  0
  5 23  1  0  0  0  0
  5 60  1  0  0  0  0
  6 25  1  0  0  0  0
  6 61  1  0  0  0  0
  7 24  2  0  0  0  0
  8 30  2  0  0  0  0
  9 31  2  0  0  0  0
 10 34  1  0  0  0  0
 10 38  1  0  0  0  0
 20 11  1  1  0  0  0
 11 54  1  0  0  0  0
 11 55  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 17 25  2  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 28  1  1  0  0  0
 22 49  1  0  0  0  0
 23 26  1  0  0  0  0
 24 29  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 62  1  0  0  0  0
 36 37  1  0  0  0  0
 36 63  1  0  0  0  0
 37 64  1  0  0  0  0
 38 65  1  0  0  0  0
 38 66  1  0  0  0  0
 38 67  1  0  0  0  0
M  END

$$$$
D01XYJ
  -OEChem-10121500292D

 32 33  0     1  0  0  0  0  0999 V2000
    5.8858   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1591   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    0.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -2.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    1.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -2.8709    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7663    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.5768   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0768   -0.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2678   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5768   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1646   -2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8089    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9645   -2.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -0.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9578   -0.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1892   -2.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3355   -3.5714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798    0.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    2.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5236   -3.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1189    1.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3458    2.6825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4989    2.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
 11  5  1  6  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
 10  6  1  1  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  6  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  CHG  2   8   1   9  -1
M  END

$$$$
D01YVT
          02241100382D 1   1.00000     0.00000     0

 44 40  0     0  0            999 V2000
    4.8461  -14.6091    0.0000 C   0  0  3  0  0  0           0  0  0
    4.1336  -14.6091    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4878  -13.9918    0.0000 O   0  0  0  0  0  0           0  0  0
    5.4592  -14.9633    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4668  -15.6799    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -2.6583  -11.4125    0.0000 *   0  0  0  0  0  0           0  0  0
   -2.0449  -11.0583    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.4315  -11.4125    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0449  -10.3500    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4315   -9.9958    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.8180  -11.0583    0.0000 *   0  0  0  0  0  0           0  0  0
    4.8950   -9.9745    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6033   -9.9745    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2491   -9.3625    0.0000 N   0  3  3  0  0  0           0  0  0
    0.3417  -11.4875    0.0000 *   0  0  0  0  0  0           0  0  0
    0.9551  -11.1333    0.0000 C   0  0  3  0  0  0           0  0  0
    1.5685  -11.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1820  -11.1333    0.0000 *   0  0  0  0  0  0           0  0  0
    0.9551  -10.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5685  -10.0708    0.0000 N   0  0  0  0  0  0           0  0  0
    1.5685   -9.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1820   -9.0083    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7954   -9.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4088   -9.0083    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0223   -9.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6357   -9.0083    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8626   -9.0083    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0125   -8.3667    0.0000 Cl  0  5  0  0  0  0           0  0  0
   -3.3042  -15.3125    0.0000 *   0  0  0  0  0  0           0  0  0
   -2.6907  -14.9583    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.0773  -15.3125    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4639  -14.9583    0.0000 *   0  0  0  0  0  0           0  0  0
   -2.6907  -14.2500    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0773  -13.8958    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.0773  -13.1875    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4639  -12.8333    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8504  -13.1875    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2370  -12.8333    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3764  -13.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9899  -12.8333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6033  -13.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2167  -12.8333    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8302  -13.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4436  -12.8333    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
 21 22  1  0     0  0
  9 10  1  0     0  0
 22 23  1  0     0  0
  1  3  1  0     0  0
 23 24  1  0     0  0
  8 11  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 14  1  0     0  0
 14 13  1  0     0  0
 14 27  1  0     0  0
 12 14  1  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
 29 30  1  0     0  0
  2  3  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 30 33  1  0     0  0
 15 16  1  0     0  0
 33 34  1  0     0  0
  6  7  1  0     0  0
 34 35  1  0     0  0
 16 17  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 17 18  1  0     0  0
 37 38  1  0     0  0
  7  8  1  0     0  0
 38 39  1  0     0  0
 16 19  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 19 20  1  0     0  0
 41 42  1  0     0  0
  7  9  1  0     0  0
 42 43  1  0     0  0
 20 21  1  0     0  0
 43 44  1  0     0  0
M  CHG  2  14   1  28  -1
M  STY  3   1 SRU   2 SRU   3 SRU
M  SLB  3   1   1   2   2   3   3
M  SCN  3   1 HT    2 HT    3 HT
M  SAL   1  4   7   8   9  10
M  SBL   1  2   7  23
M  SDI   1  4   -2.3000  -11.6400   -2.3000  -10.8200
M  SDI   1  4   -1.2200  -10.8100   -1.2200  -11.6400
M  SAL   2 15  12  13  14  16  17  19  20  21  22  23  24  25  26  27  28
M  SBL   2  2  21  28
M  SMT   2 o
M  SDI   2  4    0.7000  -11.7200    0.7000  -10.8900
M  SDI   2  4    1.7800  -10.8900    1.7800  -11.7100
M  SAL   3 14  30  31  33  34  35  36  37  38  39  40  41  42  43  44
M  SBL   3  2  16  19
M  SMT   3 p
M  SDI   3  4   -2.9500  -15.5400   -2.9500  -14.7200
M  SDI   3  4   -1.8700  -14.7100   -1.8700  -15.5400
M  END

$$$$
D01ZEC
  -OEChem-10101305032D

 36 37  0     1  0  0  0  0  0999 V2000
    6.3301   -1.6544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9101    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1373   -0.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9101   -1.8671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5151   -1.8051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2044   -1.1585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2044   -0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8765   -1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5822   -2.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486   -2.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145   -1.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9654   -1.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.0467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7484   -2.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.8206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.8206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0736   -2.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8431   -2.8812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  2  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 18  1  0  0  0  0
  4 33  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  2  0  0  0  0
  7 21  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 12  9  1  1  0  0  0
  9 19  1  0  0  0  0
  9 28  1  0  0  0  0
 10 22  3  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  6  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END

$$$$
D01ZII
  -OEChem-10121501542D

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 21 40  1  0  0  0  0
M  END

$$$$
D01ZJK
  -OEChem-04152110522D

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 70106  1  0  0  0  0
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 70108  1  0  0  0  0
M  END

$$$$
D01ZOG
  -OEChem-10121501382D

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 36 70  1  0  0  0  0
M  END

$$$$
D01ZRI
  -OEChem-10121500402D

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M  END

$$$$
D01ZSO
  -OEChem-10121501342D

 35 36  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01ZUA
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 60142  1  0  0  0  0
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 61145  1  0  0  0  0
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 62150  1  0  0  0  0
 63151  1  0  0  0  0
 63152  1  0  0  0  0
 63153  1  0  0  0  0
M  END

$$$$
D02AEW
  -OEChem-04152122262D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Xe  0  0  0  0  0  0  0  0  0  0  0  0
M  ISO  1   1 127
M  END

$$$$
D02AQY
          05100600082D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
    3.1917   -3.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8917   -2.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8125   -3.4000    0.0000 N   0  0  0  0  0  0           0  0  0
    3.1917   -2.3292    0.0000 O   0  0  0  0  0  0           0  0  0
    6.8917   -3.0417    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2792   -1.9750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4292   -3.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6625   -2.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5125   -1.9750    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4292   -2.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -3.4000    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -1.9750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6625   -3.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5792   -3.4000    0.0000 C   0  0  0  0  0  0           0  0  0
  2  6  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  2  2  0     0  0
  6  8  1  0     0  0
  7  3  1  0     0  0
  8 13  1  0     0  0
  9  2  1  0     0  0
 10  7  2  0     0  0
 11  7  1  0     0  0
 12 10  1  0     0  0
 13 11  2  0     0  0
 14  1  1  0     0  0
  8 12  2  0     0  0
M  END

$$$$
D02ARR
  -OEChem-04152110102D

 63 66  0     1  0  0  0  0  0999 V2000
    6.5271    1.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4149   -3.3307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2283    3.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5855    1.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -1.2992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931   -0.2992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -1.7992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -1.2992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -1.8060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    0.0055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -1.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.8476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6610   -0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2423    1.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15 40  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 24  1  0  0  0  0
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 19 44  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  6  0  0  0
 20 45  1  0  0  0  0
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 23 25  1  0  0  0  0
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 26 28  1  0  0  0  0
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 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
M  END

$$$$
D02AUI
  -OEChem-04152111102D

 43 42  0     0  0  0  0  0  0999 V2000
    9.1360    4.4650    0.0000 Tc  2  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.6200    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    7.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1350    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  ISO  1   1  99
M  END

$$$$
D02AXG
  -OEChem-10101305032D

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   10.2963   -1.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5271   -1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -2.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -1.7688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.5175    2.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8100   -5.7917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9186    0.9582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9382   -0.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5315    0.4574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2077    2.1149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2274    1.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6810    5.2995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9465    5.7783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  1 23  1  0  0  0  0
  2 22  2  0  0  0  0
  3 23  2  0  0  0  0
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 20 59  1  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 26  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 27  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 28  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 28 29  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 30  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 31  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 32  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 32 33  1  0  0  0  0
 32 77  1  0  0  0  0
 32 78  1  0  0  0  0
 33 79  1  0  0  0  0
 33 80  1  0  0  0  0
 33 81  1  0  0  0  0
M  END

$$$$
D02AYL
  -OEChem-10101305032D

 37 39  0     1  0  0  0  0  0999 V2000
    2.0000    0.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6901   -1.7990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.6901   -0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065   -1.7378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1901   -0.9330    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7991    0.4610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
 12  4  1  1  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  2  0  0  0  0
 10 18  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
M  CHG  2   7  -1  11   1
M  END

$$$$
D02BLO
          05071100382D 1   1.00000     0.00000     0

 34 34  0     0  0            999 V2000
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    0.2724   -0.4310    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5138   -1.7862    0.0000 I   0  0  0  0  0  0           0  0  0
   -0.5138    0.9138    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0828    0.9241    0.0000 I   0  0  0  0  0  0           0  0  0
   -2.8552   -2.2483    0.0000 C   0  0  3  0  0  0           0  0  0
   -3.6448   -0.8966    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8690    0.4621    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2724    0.4621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0655   -0.8690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5138    1.8138    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6414   -1.7897    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8552   -3.1483    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0655    0.9103    0.0000 I   0  0  0  0  0  0           0  0  0
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    0.2655    2.2655    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.3000    2.2690    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.2310   -2.1241    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6241   -0.8448    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0483    1.8138    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3966   -0.3759    0.0000 C   0  0  3  0  0  0           0  0  0
    1.8345    2.2621    0.0000 C   0  0  3  0  0  0           0  0  0
    4.1862   -0.8172    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3759    0.5241    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6138    1.8069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8310    3.1621    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9586   -0.3414    0.0000 O   0  0  0  0  0  0           0  0  0
    3.3966    2.2552    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  6 13  2  0     0  0
  7 14  1  0     0  0
  7 15  1  0     0  0
  9 16  1  0     0  0
 11 17  1  0     0  0
 11 18  1  0     0  0
 14 19  1  0     0  0
 15 20  1  0     0  0
 15 21  2  0     0  0
 16 22  1  0     0  0
 16 23  2  0     0  0
 17 24  1  0     0  0
 20 25  1  0     0  0
 22 26  1  0     0  0
 25 27  1  0     0  0
 26 28  1  0     0  0
 27 29  1  0     0  0
 27 30  1  0     0  0
 28 31  1  0     0  0
 28 32  1  0     0  0
 29 33  1  0     0  0
 31 34  1  0     0  0
  9 14  2  0     0  0
M  END

$$$$
D02CFP
          08261000062D 1   1.00000     0.00000     0

 32 33  0     1  0            999 V2000
    8.2000  -11.9250    0.0000 N   0  0  3  0  0  0           0  0  0
    8.2125  -13.2250    0.0000 C   0  0  1  0  0  0           0  0  0
    7.6000  -11.5750    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6000  -10.8750    0.0000 N   0  0  0  0  0  0           0  0  0
    8.0000  -13.8750    0.0000 C   0  0  1  0  0  0           0  0  0
    7.6541  -12.8125    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1000  -12.8625    0.0000 P   0  0  3  0  0  0           0  0  0
    5.3000  -12.8625    0.0000 P   0  0  3  0  0  0           0  0  0
    4.6916  -13.2125    0.0000 O   0  0  0  0  0  0           0  0  0
    8.8041  -11.5750    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1000  -13.2250    0.0000 C   0  0  1  0  0  0           0  0  0
    7.3125  -13.8750    0.0000 C   0  0  1  0  0  0           0  0  0
    8.8041  -10.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2000  -10.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4916  -12.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0000  -11.9250    0.0000 O   0  0  0  0  0  0           0  0  0
    5.8916  -13.2250    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6041  -12.3625    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4375  -12.2500    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9625  -12.3250    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7041  -12.8375    0.0000 N   0  3  3  0  0  0           0  0  0
    3.5000  -13.2000    0.0000 O   0  0  0  0  0  0           0  0  0
    8.3416  -14.4750    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7875  -12.3750    0.0000 O   0  0  0  0  0  0           0  0  0
    8.2000   -9.8375    0.0000 N   0  0  0  0  0  0           0  0  0
    6.9625  -14.4750    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9000  -12.8500    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3000  -13.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1916  -12.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2125  -12.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1000  -13.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7000  -13.7125    0.0000 H   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  3  1  0     0  0
  5  2  1  0     0  0
  6  2  1  0     0  0
  7  9  1  0     0  0
  8 17  1  0     0  0
  9  8  1  0     0  0
 10  1  1  0     0  0
 11  6  1  0     0  0
 12  5  1  0     0  0
 13 10  2  0     0  0
 14 13  1  0     0  0
 11 15  1  1     0  0
 16  3  2  0     0  0
 17 15  1  0     0  0
 18  7  1  0     0  0
 19  7  2  0     0  0
 20  8  2  0     0  0
 21 28  1  0     0  0
 22  7  1  0     0  0
  5 23  1  6     0  0
 24  8  1  0     0  0
 25 14  1  0     0  0
 12 26  1  6     0  0
 27 22  1  0     0  0
 28 27  1  0     0  0
 29 21  1  0     0  0
 30 21  1  0     0  0
 31 21  1  0     0  0
  2 32  1  6     0  0
 14  4  2  0     0  0
 11 12  1  0     0  0
M  CHG  1  21   1
M  END

$$$$
D02CJX
  -OEChem-04152108392D

 59 62  0     1  0  0  0  0  0999 V2000
    7.9821    1.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391    2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5855    1.6386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -1.2353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931   -0.2353    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -1.7353    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -1.2353    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -1.7421    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    0.0695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -0.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229   -0.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -3.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -0.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500    1.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -1.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -3.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9176    2.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2283    3.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -2.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -0.8103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    0.5088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    0.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    0.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    0.3473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504   -0.3429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -2.1069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.8492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -1.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.3206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -3.3572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -2.6613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    0.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.3847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    0.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -3.7805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -3.7774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324   -0.7114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -0.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7635   -0.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6718   -1.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6490    0.6065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2423    1.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4209    3.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6390    3.5261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 24  2  0  0  0  0
  4 26  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  6  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  1  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  6  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  1  0  0  0
 10 14  1  0  0  0  0
 10 21  1  1  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 22  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
M  END

$$$$
D02CKX
  -OEChem-10101305022D

 22 22  0     0  0  0  0  0  0999 V2000
    5.4921    0.6048    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    0.7223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    2.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3214    2.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843    3.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3182    3.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -2.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.2109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END

$$$$
D02CNR
  -OEChem-10101305022D

 58 61  0     1  0  0  0  0  0999 V2000
    8.0319    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8722    1.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879    0.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.6062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.5271   -0.8938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.9109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6610    0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0622    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7851    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5951    1.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
M  END

$$$$
D02CPP
  -OEChem-10101305032D

 52 53  0     0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 49  1  0  0  0  0
 30 32  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D02CTS
  -OEChem-10121501282D

 50 52  0     0  0  0  0  0  0999 V2000
    3.7320    4.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D02CYR
  -OEChem-02061504242D

  6  4  0     0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
M  CHG  4   1   3   3  -1   4  -1   5  -1
M  ISO  1   2  32
M  END

$$$$
D02DGU
  -OEChem-10111523522D

 50 50  0     0  0  0  0  0  0999 V2000
    8.1962    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -4.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4675   -5.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9631   -3.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9081    3.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1962    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 50  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 30  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  2  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
M  END

$$$$
D02DJS
  -OEChem-04152108462D

130129  0     1  0  0  0  0  0999 V2000
    0.8660    3.3100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   17.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    3.3100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3923   20.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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 66128  1  0  0  0  0
M  END

$$$$
D02DKD
  -OEChem-10121501112D

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M  END

$$$$
D02DMQ
  -OEChem-10121500172D

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 12 39  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END

$$$$
D02DPA
  -OEChem-10111523242D

 33 33  0     0  0  0  0  0  0999 V2000
    3.4901   -1.0999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -4.3613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    1.4317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -2.8225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    3.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576    2.4497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    4.9813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -2.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778   -0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6711    0.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -3.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -4.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8522    2.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509    3.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0332    4.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3275   -2.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2404    1.0686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8090   -4.9813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3775   -4.6722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588   -4.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7607   -3.4929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -3.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0173    3.6155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1987    3.9297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8845    3.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 24  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  5 30  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7 17  3  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END

$$$$
D02DPP
  -OEChem-02061503542D

 56 59  0     1  0  0  0  0  0999 V2000
   12.3180    2.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    0.5825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -2.8816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.5825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    1.4485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3398    0.2165    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.8100   -0.2835    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   14.0719   -0.7835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9819    0.7233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0878    2.2858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8579    2.2616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   -1.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3398   -0.7835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3936   -1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3936    0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2059   -1.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2059    0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0719    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8100   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1898    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100   -1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9899    1.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100    0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100   -1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -1.1495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8100   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2742   -1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562   -1.3975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6446   -1.6552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6446    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562    0.8304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8073   -1.7585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6044   -1.7585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6088   -1.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5152    0.4071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    1.1194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200   -1.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    1.1194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -1.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8602    2.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3936    1.9495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -1.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000   -2.5525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  2  0  0  0  0
  2 28  2  0  0  0  0
  3 32  1  0  0  0  0
  3 55  1  0  0  0  0
  4 32  2  0  0  0  0
  5 33  1  0  0  0  0
  5 56  1  0  0  0  0
  6 33  2  0  0  0  0
  7 14  1  0  0  0  0
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  7 18  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 20  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
  9 41  1  0  0  0  0
 10 19  1  0  0  0  0
 10 24  1  0  0  0  0
 10 42  1  0  0  0  0
 11 21  1  0  0  0  0
 11 24  2  0  0  0  0
 12 24  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 28  1  0  0  0  0
 29 13  1  6  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  2  0  0  0  0
 23 44  1  0  0  0  0
 25 27  2  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 33  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D02DPU
  -OEChem-10121500192D

 29 30  0     0  0  0  0  0  0999 V2000
    4.8535    0.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    2.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3811    3.3534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6231    3.6909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7718    3.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2166    2.8933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7296    1.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8163    2.5996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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
M  END

$$$$
D02DSD
  -OEChem-04152122272D

  7  4  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 Cr -1  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
M  CHG  4   2   1   3   1   4  -1   5  -1
M  ISO  1   1  51
M  END

$$$$
D02DSZ
  -OEChem-10101305022D

 62 63  0     1  0  0  0  0  0999 V2000
    4.4025    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0250    7.5006    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0164    7.8609    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8422    5.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767    7.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3910    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2570    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    5.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02DWM
  -OEChem-04152109242D

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M  END

$$$$
D02EHV
  -OEChem-10101305022D

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M  END

$$$$
D02EXZ
  -OEChem-04152110552D

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  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 20  2  0  0  0  0
  9 21  2  0  0  0  0
 10 22  2  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 38  1  0  0  0  0
 24 27  2  0  0  0  0
 24 39  1  0  0  0  0
 25 28  2  0  0  0  0
 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  4   1   3   5  -1   6  -1   7  -1
M  END

$$$$
D02EYG
  -OEChem-10121500482D

 63 67  0     1  0  0  0  0  0999 V2000
    8.0158    1.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479   -1.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -0.9941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2036   -0.1893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.7380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2036   -1.7988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0158   -1.9941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -0.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800    0.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -1.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -0.1281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1200   -0.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -1.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6200   -0.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1498   -0.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1498   -1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8930    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0158    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0158   -2.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5608    1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -0.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3460   -0.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800   -1.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3460   -1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2286    2.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2399    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2399   -2.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800   -2.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8965    2.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1460   -0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1460   -1.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    0.4089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    0.0840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123    0.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450   -0.5956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450   -1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -2.4707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026   -2.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374   -2.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277   -2.4707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    1.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5104    1.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3460    0.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1464    0.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3494    0.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958   -2.9941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0158   -3.6141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6358   -2.9941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2328    0.6605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2328   -2.6487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -2.9941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800   -3.6141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -2.9941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3579    2.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105    3.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350    3.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6817   -0.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6817   -1.8270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
 11  5  1  1  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 18  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 25  2  0  0  0  0
  9 26  1  0  0  0  0
 10 25  1  0  0  0  0
 10 27  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 22 25  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 29  3  0  0  0  0
 26 28  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 31  2  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 54  1  0  0  0  0
 31 35  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 35  2  0  0  0  0
 34 62  1  0  0  0  0
 35 63  1  0  0  0  0
M  END

$$$$
D02EZM
  -OEChem-10101305022D

 40 38  0     0  0  0  0  0  0999 V2000
    6.3301    1.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8301    2.6160    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8301    2.6160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8301    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 14 20  2  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 25  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  CHG  4   2   1   3   1   6  -1   7  -1
M  END

$$$$
D02FCQ
  -OEChem-04152122252D

 47 48  0     1  0  0  0  0  0999 V2000
    5.5270    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0094    4.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0094    3.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.6177    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4651    5.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    4.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.1177    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5991    3.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    3.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    4.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    3.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    3.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5930    4.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    5.5927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    5.5927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.7377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    4.1428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    4.1428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    5.4277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    3.6177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    2.9977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2191    3.6177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.7377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    3.3077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    2.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.7377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 47  1  0  0  0  0
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 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D02FEM
  -OEChem-04152109302D

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 46 93  1  0  0  0  0
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M  END

$$$$
D02FLB
  -OEChem-10191522522D

  6  4  0     0  0  0  0  0  0999 V2000
    5.1350    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D02GAC
  -OEChem-04152109202D

 60 63  0     1  0  0  0  0  0999 V2000
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 16  2  1  6  0  0  0
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 18  3  1  1  0  0  0
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 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
M  END

$$$$
D02GIU
  -OEChem-10121500332D

 50 50  0     1  0  0  0  0  0999 V2000
    6.3660    1.7136    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 23  8  1  6  0  0  0
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 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D02GJZ
  -OEChem-04152110412D

 46 48  0     1  0  0  0  0  0999 V2000
    2.0000   -2.7139    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310    4.3733    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5057   -3.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7747   -3.4343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310    0.9092    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.8088   -1.0394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0676   -0.0734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5878   -1.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7588   -1.3458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2078   -1.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0344   -0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8310    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -1.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0606   -0.7600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3561    3.9058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  2 19  1  0  0  0  0
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 10 28  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  1  0  0  0  0
 17 38  1  0  0  0  0
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 18 39  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  ISO  1   1 123
M  END

$$$$
D02GUG
  -OEChem-04152110462D

 50 55  0     1  0  0  0  0  0999 V2000
    3.8076    1.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6812    0.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5153    0.0814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4862    1.1691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9169    0.5368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6105   -0.9047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7056   -1.8908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7782   -0.7278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5142    1.1740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 11  1  1  6  0  0  0
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 15  2  1  6  0  0  0
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 23 24  2  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END

$$$$
D02HED
  -OEChem-10111523392D

 53 56  0     0  0  0  0  0  0999 V2000
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 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END

$$$$
D02HFD
  -OEChem-10121500562D

 37 36  0     1  0  0  0  0  0999 V2000
    7.7331   -1.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  6  0  0  0
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 14  9  1  1  0  0  0
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 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D02HSB
  -OEChem-10121500582D

117122  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02HWP
  -OEChem-10101305022D

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M  END

$$$$
D02HXS
  -OEChem-10121501392D

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 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D02HYK
  -OEChem-02061504162D

 47 48  0     1  0  0  0  0  0999 V2000
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 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END

$$$$
D02IBU
  -OEChem-04152109562D

222234  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02ICI
  -OEChem-04152111292D

 94 92  0     1  0  0  0  0  0999 V2000
   13.5273    8.6200    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    7.4651    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1350    2.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1972    1.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    7.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    7.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    8.1200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.5273    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1967   11.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5273    9.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.3933    8.1200    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    4.8671    3.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3312    2.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8671    2.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7331    2.1200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5991    2.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7331    4.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1972    2.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3312    3.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0632    2.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0632    3.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7331    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    5.1200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    5.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0632    5.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7953    6.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0632    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0632    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    4.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9451    5.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2531    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    0.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    1.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4662    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3322    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    7.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6738    6.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2753    7.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1982    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6602    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    7.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    7.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7336   12.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0643    9.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 28  2  1  6  0  0  0
 31  2  1  6  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
 27  4  1  6  0  0  0
 37  4  1  1  0  0  0
  5 34  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
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 36  7  1  6  0  0  0
 44  7  1  1  0  0  0
 29  8  1  1  0  0  0
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 30  9  1  6  0  0  0
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 33 10  1  1  0  0  0
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 35 11  1  6  0  0  0
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 40 14  1  1  0  0  0
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 17 45  1  0  0  0  0
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 46 18  1  6  0  0  0
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 47 19  1  6  0  0  0
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 48 20  1  6  0  0  0
 20 90  1  0  0  0  0
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 21 91  1  0  0  0  0
 22 50  1  0  0  0  0
 23 50  2  0  0  0  0
 24 92  1  0  0  0  0
 24 93  1  0  0  0  0
 25 94  1  0  0  0  0
 27 29  1  0  0  0  0
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 28 33  1  0  0  0  0
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 29 30  1  0  0  0  0
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 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
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 33 35  1  0  0  0  0
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 34 43  1  1  0  0  0
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 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
 37 61  1  0  0  0  0
 38 39  1  0  0  0  0
 38 62  1  0  0  0  0
 39 40  1  0  0  0  0
 39 63  1  0  0  0  0
 40 41  1  0  0  0  0
 40 64  1  0  0  0  0
 41 45  1  6  0  0  0
 41 65  1  0  0  0  0
 42 66  1  0  0  0  0
 42 67  1  0  0  0  0
 43 68  1  0  0  0  0
 43 69  1  0  0  0  0
 44 46  1  0  0  0  0
 44 47  1  0  0  0  0
 44 70  1  0  0  0  0
 45 74  1  0  0  0  0
 45 75  1  0  0  0  0
 46 48  1  0  0  0  0
 46 77  1  0  0  0  0
 47 49  1  0  0  0  0
 47 78  1  0  0  0  0
 48 50  1  0  0  0  0
 48 84  1  0  0  0  0
 49 85  1  0  0  0  0
 49 86  1  0  0  0  0
M  CHG  4   1   3  22  -1  25  -1  26  -2
M  END

$$$$
D02IHW
  -OEChem-10121501412D

 33 34  0     0  0  0  0  0  0999 V2000
    4.5981    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3  6  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D02IIE
  -OEChem-04152122232D

 42 43  0     1  0  0  0  0  0999 V2000
    9.6302   -3.6222    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
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    7.0163   -1.3806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3212   -2.6711    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9685   -2.1359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3778    1.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0163    1.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7303    0.3321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2691   -0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813   -0.9769    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.4425   -0.0817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 14  2  0  0  0  0
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 13  9  1  1  0  0  0
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  9 35  1  0  0  0  0
 10 13  1  0  0  0  0
 10 26  1  6  0  0  0
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 13 28  1  0  0  0  0
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 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END

$$$$
D02IIW
  -OEChem-10101305032D

 34 36  0     1  0  0  0  0  0999 V2000
    6.0690    1.2664    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
 12  3  1  6  0  0  0
  3 33  1  0  0  0  0
  4 10  2  0  0  0  0
  5 19  1  0  0  0  0
  5 34  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  6  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
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 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 22  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  1  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D02IOH
  SciTegic05171116242D

 19 20  0  0  1  0            999 V2000
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    4.9248    1.3580    0.0000 C   0  0
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  1  4  1  0
  1 12  1  0
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  3  8  1  0
  3  9  1  0
  3 18  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  5 10  2  0
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  6  8  1  0
  6 13  1  0
  7  9  1  0
 10 14  1  0
 11 15  2  0
 12 17  1  0
 14 16  2  0
 15 16  1  0
 17 19  1  0
M  END

$$$$
D02IQY
  -OEChem-10101305032D

 88 94  0     1  0  0  0  0  0999 V2000
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 28 64  1  0  0  0  0
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 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 31 36  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 35  2  0  0  0  0
 32 40  1  0  0  0  0
 33 72  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 34 77  1  0  0  0  0
 35 36  1  0  0  0  0
 35 39  1  0  0  0  0
 36 41  2  0  0  0  0
 37 78  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 38 81  1  0  0  0  0
 38 82  1  0  0  0  0
 38 83  1  0  0  0  0
 39 42  2  0  0  0  0
 40 43  2  0  0  0  0
 40 84  1  0  0  0  0
 41 85  1  0  0  0  0
 42 43  1  0  0  0  0
 42 87  1  0  0  0  0
 43 88  1  0  0  0  0
M  END

$$$$
D02IUD
  -OEChem-04152108412D

  2  0  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 F  -1  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  ISO  1   2  18
M  END

$$$$
D02JIS
  -OEChem-10101305032D

 22 22  0     0  0  0  0  0  0999 V2000
    2.0000   -2.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  2  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END

$$$$
D02JNM
  -OEChem-10121501062D

 62 66  0     1  0  0  0  0  0999 V2000
    9.0594   -1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    2.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7828    0.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6092   -0.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399   -0.2845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4739   -0.7845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6079   -0.2845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0770   -0.9516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6079    0.7155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6718   -1.8594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6831   -1.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2060    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0666   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6840   -2.3764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9505    0.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5520    1.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    1.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1185   -1.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160   -0.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8960    0.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2453   -1.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 15  3  1  1  0  0  0
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 10 12  1  0  0  0  0
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 16 22  1  0  0  0  0
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 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
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 18 44  1  0  0  0  0
 19 22  1  0  0  0  0
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 25 53  1  0  0  0  0
 26 57  1  0  0  0  0
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 27 54  1  0  0  0  0
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 27 56  1  0  0  0  0
 28 30  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  1  0  0  0  0
 29 61  1  0  0  0  0
M  END

$$$$
D02JWA
  -OEChem-04152110112D

 50 51  0     1  0  0  0  0  0999 V2000
    5.7361    0.3057    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2049   -2.4366    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4682    3.3057    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.7031   -3.3057    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7067   -1.5737    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3342   -1.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2064   -1.6984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9141    1.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4682    2.3057    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.2002    2.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2049   -2.4325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2002    0.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2085   -0.7005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9565    0.3990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656    1.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874    1.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7874    2.0082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2085   -0.6984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2085    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3342    0.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7067   -1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3394   -2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7067   -1.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2897   -1.3587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8249   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 29  1  0  0  0  0
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  5 32  1  0  0  0  0
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 20  7  1  6  0  0  0
  7 28  1  0  0  0  0
  8 21  2  0  0  0  0
  9 26  1  0  0  0  0
 10 26  2  0  0  0  0
 11 27  2  0  0  0  0
 12 33  1  0  0  0  0
 12 50  1  0  0  0  0
 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  2  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  6  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 27 29  1  0  0  0  0
 28 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 29 43  1  0  0  0  0
 29 44  1  0  0  0  0
 31 33  1  0  0  0  0
 31 45  1  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
 33 49  1  0  0  0  0
M  CHG  2   3   1   9  -1
M  END

$$$$
D02JYY
  -OEChem-04152122262D

 52 54  0     0  0  0  0  0  0999 V2000
    6.3821    0.5173    0.0000 In  0  1  0  0  0  0  0  0  0  0  0  0
    7.2482    1.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3821   -0.4827    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5161    1.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.0081    1.9826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3382   -2.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    2.0588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0081    4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1302   -3.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142    3.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2322   -4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142    2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    2.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3811   -0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010    4.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6707   -3.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8452    3.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5172   -0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8452    2.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870   -0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4499    3.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2346   -4.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4499    2.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7920   -3.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045    3.2066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 32  2  0  0  0  0
  6 12  1  0  0  0  0
  6 33  2  0  0  0  0
  7 13  1  0  0  0  0
  7 34  2  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 23  2  0  0  0  0
 14 35  1  0  0  0  0
 15 24  2  0  0  0  0
 15 36  1  0  0  0  0
 16 25  2  0  0  0  0
 16 37  1  0  0  0  0
 17 26  2  0  0  0  0
 18 27  2  0  0  0  0
 19 28  2  0  0  0  0
 20 29  2  0  0  0  0
 20 38  1  0  0  0  0
 21 30  2  0  0  0  0
 21 39  1  0  0  0  0
 22 31  2  0  0  0  0
 22 40  1  0  0  0  0
 23 26  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  1  0  0  0  0
 24 42  1  0  0  0  0
 25 28  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 32  1  0  0  0  0
 29 47  1  0  0  0  0
 30 33  1  0  0  0  0
 30 48  1  0  0  0  0
 31 34  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
 34 52  1  0  0  0  0
M  CHG  4   1   3   2  -1   3  -1   4  -1
M  ISO  1   1 111
M  END

$$$$
D02KBD
  -OEChem-04152122242D

 36 35  0     1  0  0  0  0  0999 V2000
    3.9641    0.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    2.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    1.3380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1060    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9641    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467    0.6840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5947   -0.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272   -1.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7522    0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5 15  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 16  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END

$$$$
D02KCV
  CDK    8/10/10,12:22

 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.9799    0.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812   -0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2682   -0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489   -0.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5520    0.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2702    1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2740    1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615    2.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9904    2.2749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8396    1.0480    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6946    1.0398    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2696   -1.4376    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340   -0.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332   -1.4359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -0.1978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6962   -0.6112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4101   -0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1251   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4089    0.6274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7187    2.2091    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  5 10  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1 11  1  0  0  0  0 
  3 12  1  0  0  0  0 
  5  6  2  0  0  0  0 
  4 13  1  0  0  0  0 
  6  1  1  0  0  0  0 
 13 14  2  0  0  0  0 
  2  3  1  0  0  0  0 
 13 15  1  0  0  0  0 
  6  7  1  0  0  0  0 
 15 16  1  0  0  0  0 
  2 17  1  0  0  0  0 
  7  8  1  0  0  0  0 
 17 18  1  0  0  0  0 
  3  4  2  0  0  0  0 
 18 19  1  0  0  0  0 
  7  9  2  0  0  0  0 
 18 20  2  0  0  0  0 
  1  2  2  0  0  0  0 
M  CHG  1   8  -1
M  CHG  1  21   1
M  ENDM  END

$$$$
D02KFP
  -OEChem-04152122232D

 48 46  0     1  0  0  0  0  0999 V2000
    3.4035    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035    1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2695    1.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5375    1.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1350    6.4300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1355    1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2690    6.9300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0010    6.9300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6714    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 21  1  0  0  0  0
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 10 22  2  0  0  0  0
 11 23  2  0  0  0  0
 12 24  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
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 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 23  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D02KIE
  -OEChem-04152109332D

 55 58  0     1  0  0  0  0  0999 V2000
   10.9585    4.5940    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
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    2.1380    4.3245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9  2  1  1  0  0  0
 10  2  1  1  0  0  0
  3 14  1  0  0  0  0
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 18 45  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  2  0  0  0  0
 24 51  1  0  0  0  0
 25 27  2  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D02KIU
  -OEChem-10121501412D

 52 55  0     1  0  0  0  0  0999 V2000
    8.0319    1.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 18  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 22  2  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 24  3  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END

$$$$
D02KJX
  -OEChem-10101305022D

 21 19  0     0  0  0  0  0  0999 V2000
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    0.5369    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    5.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    4.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D02KMO
  -OEChem-10111523472D

 37 37  0     1  0  0  0  0  0999 V2000
    3.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2181    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  2  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 32  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  3 33  1  0  0  0  0
  4 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5 16  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  2  0  0  0  0
 15 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
D02KOF
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
    6.3301   -1.7450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    2.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    2.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7450    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.7450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785   -1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387   -2.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.2299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.2299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4692   -1.6649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8598   -2.3597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.5779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6225   -2.8229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720   -2.6058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2549   -1.7563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    1.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 21  2  0  0  0  0
  4 25  1  0  0  0  0
  4 44  1  0  0  0  0
  5 25  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 33  1  0  0  0  0
  8 16  1  0  0  0  0
  8 20  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 24  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D02KRS
  -OEChem-10191522532D

 28 30  0     0  0  0  0  0  0999 V2000
    3.6730    1.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092    0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -0.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368    0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -1.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -1.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3444   -0.5672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -1.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016   -1.1059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198   -0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212    0.6249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383    0.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -0.4925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247    0.6249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262   -0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -1.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -1.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782   -2.3724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5188   -1.0151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068   -1.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099    1.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1361    1.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END

$$$$
D02LCR
  -OEChem-10101305032D

 46 46  0     0  0  0  0  0  0999 V2000
    6.3301   -3.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -2.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    3.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -4.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -3.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.3539    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 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 32  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END

$$$$
D02LDN
  -OEChem-10101305022D

  6  4  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
M  CHG  3   2   2   3  -1   4  -1
M  END

$$$$
D02LDV
  -OEChem-04152122252D

 38 37  0     0  0  0  0  0  0999 V2000
    7.3997    2.6284    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6497    5.1284    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.8987    5.1588    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    7.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    3.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1307    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987    5.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4865    5.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588    3.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0797    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881    2.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1866    2.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9171    5.5219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005    6.3146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672    3.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7484    3.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3503    4.4884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    7.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657    6.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8617    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    8.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5528    0.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728    1.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 17  2  0  0  0  0
  6 19  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  2  0  0  0  0
  8 17  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D02LJR
          04010801022D 1   1.00000     0.00000     0

 10 12  0     0  0            999 V2000
   -0.9750   -0.4542    0.0000 N   0  0  3  0  0  0           0  0  0
    0.1792    1.5667    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.7500   -1.1875    0.0000 N   0  0  3  0  0  0           0  0  0
    1.9083   -0.4542    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.9958    0.8500    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0208   -1.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6500   -1.0417    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7333    0.1458    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9208    0.9333    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8792   -1.7417    0.0000 C   0  0  0  0  0  0           0  0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  8  3  1  0     0  0
  9  4  1  0     0  0
 10  4  1  0     0  0
 10  3  1  0     0  0
  9  2  1  0     0  0
  8  2  1  0     0  0
M  END

$$$$
D02LJW
  -OEChem-10121501492D

 61 64  0     0  0  0  0  0  0999 V2000
   17.5885    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2458    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6444    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1990    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8005    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 26  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 56  1  0  0  0  0
  6 20  2  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 33  1  0  0  0  0
  7 36  1  0  0  0  0
  8 11  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 12  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 45  1  0  0  0  0
 16 19  2  0  0  0  0
 16 46  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 26  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 24  2  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 31  2  0  0  0  0
 29 58  1  0  0  0  0
 30 32  2  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END

$$$$
D02LPF
  -OEChem-10121501102D

 33 33  0     0  0  0  0  0  0999 V2000
    2.8660   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END

$$$$
D02LRQ
  -OEChem-10101305022D

 50 52  0     1  0  0  0  0  0999 V2000
    2.3100    0.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100    1.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1190    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    1.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    1.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7576    0.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290    1.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854    2.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346    2.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    1.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164    2.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7452    3.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    3.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036    2.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8926    0.0185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9177    1.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2274    1.3087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7274    0.0185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4177   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4177    2.5732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7274    2.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8926    2.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2023    2.5732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2023   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8926    0.0185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2850    0.6981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2850    1.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 39  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  2  0  0  0  0
 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
M  END

$$$$
D02LTL
  -OEChem-04152108352D

 52 53  0     1  0  0  0  0  0999 V2000
    4.8301    1.8195    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8301    1.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    0.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    0.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8301    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2785    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    2.6856    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    1.3195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301   -0.7785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.0875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    0.9535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8301    0.0875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8301    1.8195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3301    0.9535    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -1.2785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -2.2785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -2.7785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -2.2785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -1.2785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301    2.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   -0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8301   -1.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401   -0.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.4166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5201   -0.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401    2.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401    0.4166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.9685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0201   -1.3155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1401   -2.1815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3671   -1.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  2  0  0  0  0
  1 16  2  0  0  0  0
 18  2  1  1  0  0  0
 23  2  1  1  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 27  1  0  0  0  0
 19  5  1  1  0  0  0
 22  6  1  1  0  0  0
  6 45  1  0  0  0  0
 24  7  1  6  0  0  0
  7 46  1  0  0  0  0
 25  8  1  1  0  0  0
  8 47  1  0  0  0  0
 26  9  1  6  0  0  0
  9 48  1  0  0  0  0
 10 28  1  0  0  0  0
 10 49  1  0  0  0  0
 11 29  2  0  0  0  0
 12 30  1  0  0  0  0
 13 30  2  0  0  0  0
 20 17  1  6  0  0  0
 17 29  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 28  1  1  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 30  1  6  0  0  0
 27 41  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 31  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  CHG  2  12  -1  14  -1
M  END

$$$$
D02LWU
  -OEChem-10121501002D

 58 60  0     1  0  0  0  0  0999 V2000
   12.1196   -1.3406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875   -0.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7273    1.1494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5759   -3.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8439   -3.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9914    0.1560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 34 52  1  0  0  0  0
M  END

$$$$
D02LZB
  -OEChem-04152108392D

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M  END

$$$$
D02MLW
  -OEChem-10121501172D

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 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
M  END

$$$$
D02MZY
  -OEChem-04152108462D

 66 70  0     1  0  0  0  0  0999 V2000
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 27 12  1  1  0  0  0
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 16 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  6  0  0  0
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 21 22  2  0  0  0  0
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 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
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 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 33  1  0  0  0  0
 29 53  1  0  0  0  0
 30 34  2  0  0  0  0
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 31 35  1  0  0  0  0
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 42 64  1  0  0  0  0
 42 65  1  0  0  0  0
 42 66  1  0  0  0  0
M  END

$$$$
D02NDV
          01210517122D 1   1.00000     0.00000     0

 30 29  0     1  0            999 V2000
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    4.6000   -2.0625    0.0000 C   0  0  2  0  0  0           0  0  0
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    5.6625   -2.6792    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.3792   -1.4542    0.0000 O   0  0  0  0  0  0           0  0  0
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 13  7  1  0     0  0
  6 14  1  1     0  0
 15 14  1  0     0  0
 16  7  1  0     0  0
 17 16  1  0     0  0
 18 19  1  0     0  0
 19 27  1  0     0  0
 20 29  1  0     0  0
 21 20  1  0     0  0
 22 21  1  0     0  0
 23 22  1  0     0  0
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 25 24  1  0     0  0
 26 25  1  0     0  0
 27 26  1  0     0  0
 28 17  1  0     0  0
 29 28  1  0     0  0
 30 18  1  0     0  0
  6  3  1  0     0  0
M  END

$$$$
D02NEH
  -OEChem-10121500432D

 73 76  0     1  0  0  0  0  0999 V2000
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   10.5895   -2.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493    2.1592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6054    2.1592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9028    2.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0040    0.6842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.8403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    4.9875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    3.0695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9303   -1.7334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    4.6538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7045    4.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7013    5.5979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6579   -0.4485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8564   -2.7334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3900   -0.4485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7235   -3.5434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1265   -1.1134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1265   -2.7334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1 25  1  0  0  0  0
  4 21  2  0  0  0  0
  5 26  1  0  0  0  0
  5 29  1  0  0  0  0
  6 27  2  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 21  1  0  0  0  0
 23  9  1  1  0  0  0
  9 27  1  0  0  0  0
  9 58  1  0  0  0  0
 10 28  1  0  0  0  0
 10 67  1  0  0  0  0
 10 68  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 17  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 19 48  1  0  0  0  0
 20 24  1  0  0  0  0
 20 49  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 50  1  0  0  0  0
 23 26  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 69  1  0  0  0  0
 34 36  2  0  0  0  0
 34 70  1  0  0  0  0
 35 37  2  0  0  0  0
 35 71  1  0  0  0  0
 36 37  1  0  0  0  0
 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
M  END

$$$$
D02NJA
  -OEChem-10101305022D

 12 12  0     0  0  0  0  0  0999 V2000
    2.8090   -0.8639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    1.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -0.4677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984    1.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612    1.9855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3952    1.8484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.1765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END

$$$$
D02NSF
  -OEChem-10121501092D

 41 45  0     1  0  0  0  0  0999 V2000
    2.2314   -0.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561   -2.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1607   -1.2611    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.6897   -0.7855    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5133   -1.2611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3370   -0.7855    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -1.2611    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2392   -0.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   -2.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5918   -0.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   -2.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8418   -1.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133    1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    2.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284   -1.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496   -1.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760    0.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6795    0.1787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7254   -2.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239   -2.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9476    0.0579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490    0.7481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840    0.0957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4989    0.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -3.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0882   -3.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638   -2.6377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3879   -2.4155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.4471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2957   -1.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0503    1.9022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    2.6877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  7  2  1  1  0  0  0
  2 35  1  0  0  0  0
  3 17  2  0  0  0  0
  4 21  1  0  0  0  0
  4 41  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  6  0  0  0
  9 17  1  0  0  0  0
  9 24  1  1  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 21  2  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D02NTO
  -OEChem-10101305032D

 39 41  0     0  0  0  0  0  0999 V2000
    6.3301    0.9827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  2  0  0  0  0
  5 11  1  0  0  0  0
  5 15  2  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 20  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 21  1  0  0  0  0
 15 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

$$$$
D02OAV
  CDK    9/16/09,9:55

  7  6  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0 
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  1  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  2  7  1  0  0  0  0 
M  END

$$$$
D02OZE
  -OEChem-10121500272D

119126  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02OZY
  -OEChem-10121501192D

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    5.7741   -0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 13  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D02PAH
  -OEChem-10121501112D

 41 43  0     1  0  0  0  0  0999 V2000
    4.5981   -1.6802    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9039   -1.9695    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5438    1.3777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1354    1.2490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725   -0.0307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0981   -2.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1354   -2.6093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725   -1.3297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5438   -2.7380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 21  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 35  1  0  0  0  0
 24 26  2  0  0  0  0
 24 36  1  0  0  0  0
 25 27  2  0  0  0  0
 25 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END

$$$$
D02PCR
  -OEChem-04152108482D

 47 49  0     1  0  0  0  0  0999 V2000
    6.3981    0.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -1.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497   -2.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.3969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1465    1.9315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8680   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2403   -0.5915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
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 13  4  1  1  0  0  0
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 15  5  1  6  0  0  0
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 16  6  1  6  0  0  0
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 12  8  1  6  0  0  0
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 14  9  1  6  0  0  0
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 10 11  1  0  0  0  0
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 10 24  1  6  0  0  0
 11 13  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 30  1  6  0  0  0
 18 20  1  0  0  0  0
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 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D02PJA
  -OEChem-02061504032D

  2  1  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END

$$$$
D02PMO
  -OEChem-10121501092D

 54 58  0     1  0  0  0  0  0999 V2000
    6.7792    4.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6732    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9870   -4.8485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  9  2  1  1  0  0  0
  2 43  1  0  0  0  0
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  4 20  2  0  0  0  0
  5 28  1  0  0  0  0
  5 54  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
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  8 26  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 16 34  1  0  0  0  0
 18 25  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  2  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D02PPN
  -OEChem-10121501202D

 36 37  0     1  0  0  0  0  0999 V2000
    3.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3342   -0.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END

$$$$
D02PWM
  -OEChem-10121501072D

 32 33  0     1  0  0  0  0  0999 V2000
    7.5013    0.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    2.2644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.1077    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.5211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408    0.5184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -0.8538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236    2.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303    2.1456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.8538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.8538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.6832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1080    0.4913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152    2.8538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 31  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  1  0  0  0  0
  3 32  1  0  0  0  0
  4 15  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 14 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D02QCD
  -OEChem-10101305022D

 38 38  0     1  0  0  0  0  0999 V2000
    2.6718    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0010    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8671    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890    7.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3905    7.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    8.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    8.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3437    7.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9451    7.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3437    6.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    7.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  6  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  6  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
D02QCM
  -OEChem-04152109592D

465472  0     1  0  0  0  0  0999 V2000
   56.2539   -7.9416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   59.4478   -3.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   59.6513   -2.1834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.9195   -1.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0189   -0.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0818   -2.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6979    3.3179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7367    0.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5440    4.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6114   -1.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1221    8.6182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    8.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1630   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2947    2.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1526   -3.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9737    5.4817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5253    9.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5705    4.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.2338   -2.0524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8463    6.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2495    7.6455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.1527    1.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.7515    1.7718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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209412  1  0  0  0  0
211226  1  0  0  0  0
211413  1  0  0  0  0
213415  1  0  0  0  0
213416  1  0  0  0  0
214225  1  0  0  0  0
214417  1  0  0  0  0
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216224  1  0  0  0  0
216420  1  0  0  0  0
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217422  1  0  0  0  0
217423  1  0  0  0  0
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223229  1  0  0  0  0
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228232  1  0  0  0  0
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231235  2  0  0  0  0
231445  1  0  0  0  0
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233452  1  0  0  0  0
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236239  1  0  0  0  0
236457  1  0  0  0  0
237458  1  0  0  0  0
237459  1  0  0  0  0
M  END

$$$$
D02QJH
  -OEChem-10121501072D

 62 66  0     1  0  0  0  0  0999 V2000
    5.9499    1.6551    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6092   -0.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5160   -0.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2453   -1.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3699   -2.4248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1754   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
 21  2  1  6  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
 17  5  1  1  0  0  0
  5 51  1  0  0  0  0
  6 22  2  0  0  0  0
  7 27  1  0  0  0  0
  7 62  1  0  0  0  0
  8 32  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 20  1  1  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  6  0  0  0
 11 13  1  0  0  0  0
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 11 34  1  1  0  0  0
 12 14  1  0  0  0  0
 12 22  1  1  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  1  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  1  0  0  0
 18 26  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  2  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 31  2  0  0  0  0
 26 50  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 55  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 54  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 32  1  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 31 61  1  0  0  0  0
M  END

$$$$
D02QPR
  -OEChem-04152108452D

 15  8  0     0  0  0  0  0  0999 V2000
    0.8660    1.2500    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
    1.7320    1.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D02RIV
  -OEChem-04152109182D

 50 50  0     0  0  0  0  0  0999 V2000
    7.9409    5.3155    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    4.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    5.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409    6.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4409    4.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   10.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1350    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    5.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6720    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6720    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2055    6.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084    6.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2745    4.8406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0715    4.8406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   10.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    5.1255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0759    5.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 25  1  0  0  0  0
  2 13  1  0  0  0  0
  2 42  1  0  0  0  0
  3 48  1  0  0  0  0
  4 28  1  0  0  0  0
  4 49  1  0  0  0  0
  7 26  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 27  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 26  2  0  0  0  0
  9 47  1  0  0  0  0
 10 27  2  0  0  0  0
 10 50  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 14 29  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 24  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 27  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 28  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 28 40  1  0  0  0  0
 28 41  1  0  0  0  0
M  END

$$$$
D02RQU
  -OEChem-10121500002D

 66 67  0     1  0  0  0  0  0999 V2000
    3.7320    1.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -0.9973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02RSN
  -OEChem-10101305022D

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M  END

$$$$
D02RXG
  -OEChem-10101305032D

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M  END

$$$$
D02SBQ
  -OEChem-10101305032D

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M  END

$$$$
D02STN
  -OEChem-10121500562D

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M  END

$$$$
D02TBI
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02TJS
  -OEChem-10121500582D

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 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 20  2  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 23  1  0  0  0  0
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 20 24  1  0  0  0  0
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 22 33  1  0  0  0  0
 23 25  2  0  0  0  0
 23 32  1  0  0  0  0
 24 35  1  0  0  0  0
 25 34  1  0  0  0  0
M  END

$$$$
D02TLO
  -OEChem-10121501172D

 29 29  0     1  0  0  0  0  0999 V2000
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  4 10  1  0  0  0  0
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 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D02TQO
  -OEChem-04152109312D

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 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
 31 80  1  0  0  0  0
M  END

$$$$
D02UDJ
  -OEChem-10121500192D

 14 13  0     1  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  5  4  1  1  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END

$$$$
D02UFG
  -OEChem-04152108402D

 71 70  0     1  0  0  0  0  0999 V2000
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    8.5991    4.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0757    7.9597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    8.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
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  2 62  1  0  0  0  0
  3 17  1  0  0  0  0
  3 63  1  0  0  0  0
  4 30  1  0  0  0  0
  4 66  1  0  0  0  0
  5 31  1  0  0  0  0
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  7 69  1  0  0  0  0
  8 70  1  0  0  0  0
  9 71  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 44  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
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 16 20  1  0  0  0  0
 16 40  1  0  0  0  0
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 17 41  1  0  0  0  0
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 18 42  1  0  0  0  0
 19 24  1  0  0  0  0
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 19 43  1  0  0  0  0
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 25 56  1  0  0  0  0
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 26 32  1  0  0  0  0
 26 58  1  0  0  0  0
 27 33  1  0  0  0  0
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 28 30  2  0  0  0  0
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 29 31  2  0  0  0  0
 29 61  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
M  END

$$$$
D02ULU
  -OEChem-10101305032D

582587  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02URS
          11280715192D 1   1.00000     0.00000     0

  2  0  0     0  0            999 V2000
    3.3042   -5.7417    0.0000 I   0  5  0  0  0  0           0  0  0
    2.2417   -5.7792    0.0000 K   0  3  0  0  0  0           0  0  0
M  CHG  2   1  -1   2   1
M  END

$$$$
D02VCJ
  -OEChem-04152110312D

 54 55  0     1  0  0  0  0  0999 V2000
    8.5991    1.8450    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1550    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  5  1  1  0  0  0
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 17  6  1  6  0  0  0
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 10 29  2  0  0  0  0
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 17 35  1  0  0  0  0
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 18 36  1  0  0  0  0
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 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
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 22 24  2  0  0  0  0
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 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 49  1  0  0  0  0
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 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END

$$$$
D02VFC
  -OEChem-04152109072D

 45 47  0     1  0  0  0  0  0999 V2000
    6.8671   -0.6471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END

$$$$
D02VIT
  -OEChem-04152121562D

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 29 54  1  0  0  0  0
M  END

$$$$
D02VJP
  -OEChem-10121501402D

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M  END

$$$$
D02VMJ
  -OEChem-10101305032D

 30 32  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02VPX
  -OEChem-10191522532D

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 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 17  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 19  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 20  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 21  2  0  0  0  0
 19 56  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 27  1  0  0  0  0
 25 29  2  0  0  0  0
 26 28  1  0  0  0  0
 26 65  1  0  0  0  0
 27 28  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
M  END

$$$$
D02WAB
  SciTegic11301210262D

 14 14  0  0  0  0            999 V2000
    2.5542    0.1333    0.0000 C   0  0
    1.8167    1.3750    0.0000 N   0  0
    1.8375   -1.1042    0.0000 C   0  0
    0.3917    1.3750    0.0000 C   0  0
    3.9917    0.1333    0.0000 O   0  0
   -0.3208    2.6208    0.0000 C   0  0
   -0.3208    0.1583    0.0000 C   0  0
    2.5542   -2.3500    0.0000 Cl  0  0
    0.4125   -1.1042    0.0000 Cl  0  0
   -2.4833    1.3750    0.0000 C   0  0
   -1.7708    0.1583    0.0000 C   0  0
   -1.7708    2.6208    0.0000 C   0  0
    2.5375    2.6208    0.0000 C   0  0
   -3.9208    1.3750    0.0000 O   0  0
  2  1  1  0
  3  1  1  0
  4  2  1  0
  5  1  2  0
  6  4  2  0
  7  4  1  0
  8  3  1  0
  9  3  1  0
 10 11  1  0
 11  7  2  0
 12  6  1  0
 13  2  1  0
 14 10  1  0
 12 10  2  0
M  END

$$$$
D02WCI
  -OEChem-10121501402D

 25 26  0     0  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D02WFK
  -OEChem-10101305032D

 13 13  0     1  0  0  0  0  0999 V2000
    4.5691    0.5593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.1471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.3917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2601   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477   -0.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -1.0083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -0.5206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245   -1.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0557   -1.1359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  5  4  1  1  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END

$$$$
D02WIW
  -OEChem-10121501412D

 38 39  0     1  0  0  0  0  0999 V2000
    4.5981   -3.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  6  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  2  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 33  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 16 19  2  0  0  0  0
 16 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D02WUC
  SciTegic11301210262D

 22 24  0  0  0  0            999 V2000
   -3.1833    1.2833    0.0000 S   0  0
   -2.1875    0.7208    0.0000 C   0  0
   -0.3458    0.7208    0.0000 C   0  0
    1.5375    0.7208    0.0000 N   0  0
    0.6125    1.2458    0.0000 C   0  0
   -0.3458   -0.3667    0.0000 C   0  0
    0.6125   -0.9292    0.0000 N   0  0
    1.5375   -0.3667    0.0000 C   0  0
   -1.2625    1.2458    0.0000 C   0  0
   -2.1875   -0.3667    0.0000 C   0  0
   -1.2625   -0.9292    0.0000 C   0  0
   -3.7083    0.3208    0.0000 O   0  0
   -4.1458    1.8083    0.0000 O   0  0
    0.6125    2.3833    0.0000 O   0  0
   -2.6208    2.2333    0.0000 N   0  0
    2.4917   -0.9292    0.0000 C   0  0
   -3.1458   -0.9625    0.0000 Cl  0  0
    3.4167   -0.3667    0.0000 C   0  0
    2.4917   -2.0167    0.0000 C   0  0
    4.3375   -0.9292    0.0000 C   0  0
    3.4167   -2.5417    0.0000 C   0  0
    4.3375   -2.0167    0.0000 C   0  0
  2  1  1  0
  3  9  1  0
  4  5  1  0
  5  3  1  0
  6 11  1  0
  7  6  1  0
  8  7  1  0
  9  2  2  0
 10  2  1  0
 11 10  2  0
 12  1  2  0
 13  1  2  0
 14  5  2  0
 15  1  1  0
 16  8  1  0
 17 10  1  0
 18 16  1  0
 19 16  2  0
 20 18  2  0
 21 19  1  0
 22 21  2  0
  3  6  2  0
  4  8  1  0
 20 22  1  0
M  END

$$$$
D02XBW
  -OEChem-10121500242D

  8  7  0     0  0  0  0  0  0999 V2000
    3.4030   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END

$$$$
D02XIY
  -OEChem-04152109032D

137141  0     1  0  0  0  0  0999 V2000
    7.7331   -0.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7362   -0.1471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -7.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9292   -1.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1972   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02XJI
  -OEChem-10121504072D

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    2.8660   -3.6307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170    2.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814    1.6958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2  6  1  0  0  0  0
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  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
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  3 15  1  0  0  0  0
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  8 27  1  0  0  0  0
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  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  2  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END

$$$$
D02XJY
  -OEChem-10121501202D

 36 36  0     1  0  0  0  0  0999 V2000
    3.7320    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    2.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 26  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4 15  2  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END

$$$$
D02XOK
  -OEChem-10121501352D

 40 41  0     1  0  0  0  0  0999 V2000
    4.5981    1.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    2.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9641    0.8730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4641    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630    1.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5718   -0.6036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0467    0.2190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7520    2.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535    1.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    2.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.9819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.9819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.8854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -0.9561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.5299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 40  1  0  0  0  0
M  END

$$$$
D02XSA
  -OEChem-10121500372D

 35 36  0     1  0  0  0  0  0999 V2000
    3.7320    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8291    0.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0529   -1.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0529   -0.2403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 30  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D02YCH
  -OEChem-04152122242D

 22 22  0     0  0  0  0  0  0999 V2000
    2.0000   -1.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02YIZ
  -OEChem-10191522522D

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M  END

$$$$
D02YPG
  -OEChem-10121500372D

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  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5 19  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END

$$$$
D02YYF
  -OEChem-10121501112D

 30 30  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0981    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  CHG  1   2   1
M  END

$$$$
D02ZGI
  -OEChem-04152109272D

 74 76  0     1  0  0  0  0  0999 V2000
    9.6565    2.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6100    5.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4103   -0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    2.2417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.2498    4.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2632    2.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 19  1  1  6  0  0  0
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 27  3  1  6  0  0  0
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 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
M  END

$$$$
D02ZJI
  -OEChem-10101305022D

 38 38  0     1  0  0  0  0  0999 V2000
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    5.4641    2.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    2.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    3.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040    3.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.2780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    1.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6771    1.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040    2.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -2.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -2.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 33  1  0  0  0  0
  2 15  1  0  0  0  0
  2 37  1  0  0  0  0
  3 17  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END

$$$$
D02ZTJ
  -OEChem-10101305032D

 42 44  0     0  0  0  0  0  0999 V2000
    3.7320    2.9050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9050    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   -4.0950    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
    6.3301    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  4 24  2  0  0  0  0
  5 28  1  0  0  0  0
  5 42  1  0  0  0  0
  6 28  2  0  0  0  0
  7 17  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  9 18  2  0  0  0  0
 10 17  1  0  0  0  0
 10 26  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 24  1  0  0  0  0
 21 28  1  0  0  0  0
 22 25  2  0  0  0  0
 22 37  1  0  0  0  0
 23 27  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END

$$$$
D02ZXM
  -OEChem-10121501002D

 16 17  0     0  0  0  0  0  0999 V2000
    4.2690    1.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.6147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END

$$$$
D03AJU
  -OEChem-10191523072D

 27 29  0     1  0  0  0  0  0999 V2000
    4.9344   -0.0823    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5472   -1.8776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0771   -2.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511    3.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962   -1.5686    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0084   -2.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962   -3.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5472   -2.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872   -0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4935   -1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4935   -3.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    0.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    1.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    2.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838   -1.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -1.9628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -2.7925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0592   -3.4967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8484   -3.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861   -0.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861   -3.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942   -0.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    0.6703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  1  0  0  0  0
  4 17  3  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  6  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D03AZK
  -OEChem-03101900402D

 21 18  0     0  0  0  0  0  0999 V2000
    0.0000    1.6345    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
    4.6760    0.8660    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    2.3660    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    2.3660    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    4.4260    5.7690    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1345    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.6760    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5420    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420    3.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8520    1.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7960    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 21  1  0  0  0  0
 12 20  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END

$$$$
D03BLF
  -OEChem-10111523582D

 55 58  0     1  0  0  0  0  0999 V2000
    5.0182   -0.2293    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0319    1.2610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9229   -0.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    0.4874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8566    2.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.0046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.9954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -1.4954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.9954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03CAT
  -OEChem-10101305032D

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M  END

$$$$
D03CEF
  -OEChem-10101305032D

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  1 42  1  0  0  0  0
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  2 53  1  0  0  0  0
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 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
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 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
 19 23  2  0  0  0  0
 19 44  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 28  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
M  END

$$$$
D03CHT
  -OEChem-10101305022D

 24 23  0     1  0  0  0  0  0999 V2000
    3.7320    0.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4766   -2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  2  0  0  0  0
  6  5  1  6  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END

$$$$
D03CJL
  -OEChem-10121501152D

 50 53  0     1  0  0  0  0  0999 V2000
    9.4312    5.5830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -4.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -3.3842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3211   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3951    4.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
  2 16  2  0  0  0  0
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  4  7  1  0  0  0  0
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 10 12  2  0  0  0  0
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 13 15  1  0  0  0  0
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 17 20  2  0  0  0  0
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 23 24  2  0  0  0  0
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 25 27  2  0  0  0  0
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 26 28  2  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D03CNS
  -OEChem-10121500192D

 40 43  0     1  0  0  0  0  0999 V2000
   10.8189    0.9989    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.3155   -1.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3222   -0.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6830   -1.5528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
M  END

$$$$
D03CQE
  -OEChem-10101305032D

 49 52  0     1  0  0  0  0  0999 V2000
    4.5981    1.4359    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    2.4705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    2.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.5988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5641    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.5641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785   -1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5686   -2.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5685   -2.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.7320   -2.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5319   -0.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -0.8741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335   -2.5391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7741   -2.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    1.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 14  1  0  0  0  0
  2 27  1  0  0  0  0
  3 22  2  0  0  0  0
  4 26  1  0  0  0  0
  4 49  1  0  0  0  0
  5 26  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 21  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 16 24  2  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 25  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D03CUF
  -OEChem-10101305032D

 23 24  0     0  0  0  0  0  0999 V2000
    9.5755   -0.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7665    1.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1843    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5352   -1.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.1248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.1843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.4849    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2665   -1.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2665   -1.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7665    0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0032    0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6601   -1.2047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3313   -1.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3676    1.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    1.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 23  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D03DAP
  -OEChem-10111523502D

 48 49  0     1  0  0  0  0  0999 V2000
    2.0000    0.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.0670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -4.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -2.7010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.7942    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3261    3.3580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0063    2.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    3.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    3.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    4.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8501   -3.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 27  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
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  6 28  1  0  0  0  0
  7 18  2  0  0  0  0
  8 20  1  0  0  0  0
  8 25  1  0  0  0  0
  9 22  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 38  1  0  0  0  0
 11 17  1  0  0  0  0
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 11 41  1  0  0  0  0
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 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END

$$$$
D03DDR
  -OEChem-10111523492D

 48 51  0     1  0  0  0  0  0999 V2000
    8.3847   -0.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0488    1.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9610   -1.4507    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.5186    3.2650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0950   -1.9507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6526   -0.2350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6867    0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057   -1.3986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7244   -3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1284   -0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5904   -2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5186    0.2650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7660   -1.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5186    1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3847    1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526    1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3847    2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786    1.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526    2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1847    1.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1847    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6088    2.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  1 38  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
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 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 13 15  2  0  0  0  0
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 15 39  1  0  0  0  0
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 16 18  1  0  0  0  0
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 17 41  1  0  0  0  0
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 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
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 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END

$$$$
D03DEI
  -OEChem-10191522532D

 49 52  0     1  0  0  0  0  0999 V2000
    2.9945    2.1649    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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    2.0000    2.0604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 33  1  0  0  0  0
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 18 26  1  0  0  0  0
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 20 39  1  0  0  0  0
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 21 41  1  0  0  0  0
 22 24  1  0  0  0  0
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 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  1  0  0  0  0
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 26 28  2  0  0  0  0
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 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D03DIG
  -OEChem-10111523342D

 43 47  0     1  0  0  0  0  0999 V2000
    2.2314   -0.1372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1607   -1.1411    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    4.5133   -1.1411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3370   -0.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -1.1411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2392    0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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 14  2  1  6  0  0  0
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 14 32  1  0  0  0  0
 15 17  2  0  0  0  0
 15 33  1  0  0  0  0
 16 20  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 39  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D03DJL
  -OEChem-10121501362D

 57 60  0     1  0  0  0  0  0999 V2000
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    5.6671    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5000    2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409   -0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069   -0.7430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5000    2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000    5.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0669   -1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9730   -2.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 40  1  0  0  0  0
 17 22  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
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 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 50  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
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 23 51  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 53  1  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
M  END

$$$$
D03DSR
  -OEChem-04152108532D

 36 37  0     0  0  0  0  0  0999 V2000
   10.3312    0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  3 32  1  0  0  0  0
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  4 29  1  0  0  0  0
  5 14  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
M  END

$$$$
D03DVJ
  -OEChem-04152108522D

 32 32  0     1  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  1 29  1  0  0  0  0
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 10 26  1  0  0  0  0
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 11 30  1  0  0  0  0
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 11 32  1  0  0  0  0
M  END

$$$$
D03DXN
  -OEChem-04152108492D

 49 52  0     1  0  0  0  0  0999 V2000
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    2.8787   -0.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3353    2.4898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3687    2.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
 11  2  1  1  0  0  0
  3 47  1  0  0  0  0
  4 48  1  0  0  0  0
  6 24  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  1  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  6  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 26  1  1  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 27  1  6  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D03EDQ
  -OEChem-10121501042D

 41 43  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  6 17  2  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  7 32  1  0  0  0  0
  8 22  1  0  0  0  0
  8 26  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 29  1  0  0  0  0
 13 18  2  0  0  0  0
 13 20  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 27  2  0  0  0  0
 25 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END

$$$$
D03EEH
          01280517582D 1   1.00000     0.00000     0

 30 28  0     0  0            999 V2000
    5.5792   -1.1375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2917   -1.1250    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8375   -0.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -0.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9667    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3667   -1.1375    0.0000 N   0  0  3  0  0  0           0  0  0
    4.5125   -1.1375    0.0000 N   0  0  3  0  0  0           0  0  0
    5.5792   -0.5167    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3000   -0.5125    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5792    0.1000    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5000    0.6208    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3000    0.1000    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8250   -1.4375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -1.4375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8375   -0.8250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -0.8250    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4375   -1.7500    0.0000 N   0  0  3  0  0  0           0  0  0
    4.0000   -1.3875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7500   -1.4250    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1125   -1.4375    0.0000 N   0  0  0  0  0  0           0  0  0
    4.5125   -1.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3667   -1.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4292    0.6083    0.0000 O   0  5  0  0  0  0           0  0  0
    4.5125    0.1000    0.0000 O   0  5  0  0  0  0           0  0  0
    2.3667    0.1000    0.0000 O   0  5  0  0  0  0           0  0  0
    3.9750   -2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9042   -2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9375   -0.5917    0.0000 Gd  0  1  0  0  0  0           0  0  0
    6.6500   -1.1375    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2250   -1.1167    0.0000 C   0  0  0  0  0  0           0  0  0
  2 13  1  0     0  0
  3 15  1  0     0  0
  4 16  1  0     0  0
  5 18  1  0     0  0
  6 22  1  0     0  0
  7 14  1  0     0  0
  8  1  2  0     0  0
  9  2  2  0     0  0
 10  4  2  0     0  0
 11  5  2  0     0  0
 12  3  2  0     0  0
 13  6  1  0     0  0
 14  1  1  0     0  0
 15  6  1  0     0  0
 16  7  1  0     0  0
 17 26  1  0     0  0
 18 17  1  0     0  0
 19  2  1  0     0  0
 20  1  1  0     0  0
 21  7  1  0     0  0
 22 27  1  0     0  0
 23  5  1  0     0  0
 24  4  1  0     0  0
 25  3  1  0     0  0
 26 21  1  0     0  0
 27 17  1  0     0  0
 29 20  1  0     0  0
 30 19  1  0     0  0
M  CHG  4  23  -1  24  -1  25  -1  28   3
M  END

$$$$
D03ELL
  -OEChem-10121502022D

 52 53  0     1  0  0  0  0  0999 V2000
    4.2690    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7036   -0.0055    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5127   -1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6818    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9605    0.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1684    1.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0791   -0.6623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0142   -1.7712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5967   -1.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6834   -0.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2482    0.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2973    2.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5620    1.7707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0569    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 18  1  0  0  0  0
  1 23  1  0  0  0  0
  2 16  2  0  0  0  0
  3 20  1  0  0  0  0
  3 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 37  1  0  0  0  0
  8 21  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D03EXK
          08031100072D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
   -0.9780    1.0539    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.4237    0.6182    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5709    0.6641    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9495    1.7680    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.6731   -0.0443    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2660    0.8045    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3788   -0.0206    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5476    2.1440    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3227    2.0980    0.0000 *   0  0  0  0  0  0           0  0  0
   -2.1739    1.8132    0.0000 *   0  0  0  0  0  0           0  0  0
    2.3454    1.0270    0.0000 I   0  0  0  0  0  0           0  0  0
    3.0500    1.0292    0.0000 I   0  0  0  0  0  0           0  0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  7  1  0     0  0
  4  9  1  0     0  0
  8 10  1  0     0  0
 11 12  1  0     0  0
  1  2  1  0     0  0
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT
M  SAL   1  8   1   2   3   4   5   6   7   8
M  SBL   1  2   8   9
M  SDI   1  4   -1.8200    1.5800   -1.8200    2.4000
M  SDI   1  4   -0.7500    2.3500   -0.7500    1.5300
M  END

$$$$
D03FCF
  -OEChem-04152111032D

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 56126  1  0  0  0  0
 57 60  2  0  0  0  0
 57127  1  0  0  0  0
 58 61  1  0  0  0  0
 58 62  1  6  0  0  0
 58129  1  0  0  0  0
 59130  1  0  0  0  0
 59131  1  0  0  0  0
 59132  1  0  0  0  0
 60 63  1  0  0  0  0
 60133  1  0  0  0  0
 61 63  2  0  0  0  0
 61134  1  0  0  0  0
 62135  1  0  0  0  0
 62136  1  0  0  0  0
 62137  1  0  0  0  0
 63138  1  0  0  0  0
 64139  1  0  0  0  0
 64140  1  0  0  0  0
 64141  1  0  0  0  0
M  END

$$$$
D03FLC
  -OEChem-10111523522D

 23 24  0     0  0  0  0  0  0999 V2000
    6.0010    1.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  2  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END

$$$$
D03FNJ
  -OEChem-10121501232D

 32 32  0     0  0  0  0  0  0999 V2000
    5.4641    4.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END

$$$$
D03GCJ
  -OEChem-10121501122D

 45 46  0     1  0  0  0  0  0999 V2000
    5.4804    0.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -1.6322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1777   -2.6521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0379   -3.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893   -1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291   -1.1422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8981   -3.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5279   -4.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5479   -2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406   -0.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    3.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986   -1.7669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4080   -1.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6372   -2.9559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7958   -0.8260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5819   -4.2054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0812   -2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8640   -1.7686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146   -1.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9946   -3.7061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2117   -4.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0612   -4.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4314   -3.9883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2143   -3.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9499   -0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    0.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    4.0569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    3.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4502   -2.2521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 45  1  0  0  0  0
  3 18  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  5 41  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END

$$$$
D03GET
  -OEChem-10101305022D

 21 22  0     0  0  0  0  0  0999 V2000
    3.7320   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D03GOI
  -OEChem-10111523222D

531536  0     1  0  0  0  0  0999 V2000
    8.6201  -12.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200  -10.1803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200  -15.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200   -8.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6201   -7.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1200   -4.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200  -17.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6200   -5.8502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6200   -9.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3162  -14.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1200   -6.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200   -9.3143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1200  -10.1803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200  -20.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5842  -12.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8521  -15.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7181  -16.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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264265  2  0  0  0  0
265530  1  0  0  0  0
266531  1  0  0  0  0
M  END

$$$$
D03GVC
  -OEChem-10121501192D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0000    2.0737    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.7655   -0.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.0737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263   -1.4537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5737    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3981   -0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  2  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
M  END

$$$$
D03HCZ
  -OEChem-04152108442D

 56 56  0     1  0  0  0  0  0999 V2000
    3.3450    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END

$$$$
D03HFG
  -OEChem-10121501162D

 43 43  0     0  0  0  0  0  0999 V2000
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 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D03HJK
  -OEChem-10101305032D

124126  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03HYQ
  -OEChem-10121501242D

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M  END

$$$$
D03HYX
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 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D03IDU
  -OEChem-10101305022D

  6  3  0     0  0  0  0  0  0999 V2000
    0.0000    1.2500    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200    2.5000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
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    4.4399    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  CHG  1   4  -2
M  END

$$$$
D03IGH
  -OEChem-10101305022D

 75 78  0     1  0  0  0  0  0999 V2000
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 14  4  1  6  0  0  0
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 19  5  1  6  0  0  0
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 18  9  1  1  0  0  0
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 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 37 72  1  0  0  0  0
M  END

$$$$
D03IKT
  -OEChem-10101305032D

 57 60  0     1  0  0  0  0  0999 V2000
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 19  1  1  6  0  0  0
 11  2  1  6  0  0  0
  2 50  1  0  0  0  0
 15  3  1  1  0  0  0
  3 52  1  0  0  0  0
  4 21  2  0  0  0  0
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  5 57  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
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 10 15  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 23  1  1  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
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 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
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 24 27  2  0  0  0  0
 24 51  1  0  0  0  0
 25 28  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D03IUD
  -OEChem-04152110362D

 82 84  0     1  0  0  0  0  0999 V2000
    8.2490    9.3093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0562   10.3188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1299    4.3316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9230   12.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5259    8.1917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
  1 33  1  0  0  0  0
  2 24  1  0  0  0  0
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 29 17  1  1  0  0  0
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 29 52  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
 36 40  1  0  0  0  0
 37 39  1  0  0  0  0
 37 58  1  0  0  0  0
 38 39  2  0  0  0  0
 40 42  1  0  0  0  0
 41 59  1  0  0  0  0
 41 60  1  0  0  0  0
 41 61  1  0  0  0  0
 44 47  1  0  0  0  0
 44 48  1  0  0  0  0
 44 49  1  0  0  0  0
 46 50  1  0  0  0  0
 46 67  1  0  0  0  0
 46 68  1  0  0  0  0
 47 69  1  0  0  0  0
 47 70  1  0  0  0  0
 47 71  1  0  0  0  0
 48 72  1  0  0  0  0
 48 73  1  0  0  0  0
 48 74  1  0  0  0  0
 50 75  1  0  0  0  0
 50 76  1  0  0  0  0
M  CHG  2  13  -1  18   1
M  END

$$$$
D03IUY
  SciTegic10261211122D

 33 36  0  0  1  0            999 V2000
    2.2292   -7.1042    0.0000 S   0  0
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  6 14  1  0
  7 17  1  0
  8  2  1  0
  9 10  1  0
 10  5  1  0
 11  3  1  0
 12 18  1  0
 13  1  1  0
 14 23  2  0
 15  1  2  0
 16  1  2  0
 17 19  2  0
 18  7  1  0
 19 13  1  0
 20 11  1  0
 21  1  1  0
 22  8  2  0
 23 19  1  0
  2 24  1  1
  5 25  1  6
  4 26  1  1
  3 27  1  6
  7  6  2  0
 12  4  1  0
  3  2  1  0
 20  8  1  0
  2  9  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
 29 33  1  0
 30 28  1  0
 31 28  1  0
 32 30  1  0
 33 31  1  0
 32 29  1  0
M  ENDM  END

$$$$
D03JAA
  -OEChem-10101305032D

 36 37  0     0  0  0  0  0  0999 V2000
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    3.0781   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
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  6 22  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  2  0  0  0  0
  8 12  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  2  0  0  0  0
 11 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 17  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 31  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D03JSJ
  -OEChem-10101305032D

 79 80  0     1  0  0  0  0  0999 V2000
   12.8923    4.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9904    5.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    5.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3923    5.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5263    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2583    5.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7942    5.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6603    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.1244    5.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.1244    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9539    4.9666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8307    4.9666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1278    6.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7953    6.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    6.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723    3.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    4.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1244    6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8783    6.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2583    7.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6383    6.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4516    3.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5044    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1244    3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7444    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5273    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    1.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
 11  1  1  6  0  0  0
  2 16  1  0  0  0  0
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 15  3  1  6  0  0  0
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 17  4  1  6  0  0  0
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 18  5  1  1  0  0  0
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 10 11  1  0  0  0  0
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 10 36  1  0  0  0  0
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 11 37  1  0  0  0  0
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 13 40  1  0  0  0  0
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 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
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 18 22  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  1  1  0  0  0
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 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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 24 60  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 62  1  0  0  0  0
 27 28  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 29  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 30  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 31  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 32  1  0  0  0  0
 31 71  1  0  0  0  0
 31 72  1  0  0  0  0
 32 33  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 34  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 35  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
M  END

$$$$
D03KEK
  -OEChem-10101305022D

 18 18  0     0  0  0  0  0  0999 V2000
    3.7320    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
M  END

$$$$
D03KIA
  -OEChem-10121500002D

 67 68  0     1  0  0  0  0  0999 V2000
   10.3312    3.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -2.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.3840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1972    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  END

$$$$
D03KOZ
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    5.5116    0.4938    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D03KPZ
  -OEChem-10101305032D

 99105  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03KQF
  -OEChem-10111523462D

 44 47  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03KTD
  -OEChem-04152110432D

165172  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03KUB
  -OEChem-04152110132D

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M  END

$$$$
D03KXY
  -OEChem-10101305022D

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  2 12  1  0  0  0  0
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 10  4  1  1  0  0  0
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 11  7  1  6  0  0  0
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 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  6  0  0  0
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 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D03KYG
  -OEChem-10121500492D

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 18  7  1  6  0  0  0
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 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  END

$$$$
D03KZM
  -OEChem-10111523422D

 57 60  0     1  0  0  0  0  0999 V2000
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 30 55  1  0  0  0  0
 31 32  2  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END

$$$$
D03LGG
  -OEChem-10101305022D

 49 49  0     0  0  0  0  0  0999 V2000
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  1 11  2  0  0  0  0
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  2 22  1  0  0  0  0
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 12 33  1  0  0  0  0
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 16 38  1  0  0  0  0
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 16 40  1  0  0  0  0
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 20 45  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END

$$$$
D03LGY
  -OEChem-10101305022D

 52 49  0     0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 13 18  1  0  0  0  0
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 13 35  1  0  0  0  0
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 14 36  1  0  0  0  0
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 15 20  1  0  0  0  0
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 18 43  1  0  0  0  0
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 20 49  1  0  0  0  0
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 20 51  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D03LJR
  -OEChem-10121500452D

144147  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03MGL
  -OEChem-10101305022D

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 23 29  1  0  0  0  0
 24 26  2  0  0  0  0
 24 51  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 53  1  0  0  0  0
 28 31  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D03MIR
  -OEChem-10121501142D

 58 62  0     1  0  0  0  0  0999 V2000
    4.6660    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2583    0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2583   -1.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9962    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5942   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4882    0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4882   -1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3942   -0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3942   -1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2545    1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1263   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6067    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4810    1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4810   -2.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1913   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8745    1.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2521    2.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6644   -0.8146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8184   -0.5844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 19  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  1  0  0  0  0
  5 33  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 17  2  0  0  0  0
  8 20  1  0  0  0  0
  9 17  1  0  0  0  0
  9 23  2  0  0  0  0
 10 23  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 14  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 19 25  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  2  0  0  0  0
 21 27  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 24 28  1  0  0  0  0
 24 45  1  0  0  0  0
 25 30  1  0  0  0  0
 25 46  1  0  0  0  0
 26 29  1  0  0  0  0
 26 47  1  0  0  0  0
 27 31  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D03MNN
  -OEChem-10101305022D

 65 69  0     0  0  0  0  0  0999 V2000
   10.9248   -4.1165    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3887   -4.1566    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8848    1.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675   -1.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4118   -2.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    3.1385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    3.3475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9595    0.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9480   -2.1166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938   -1.6095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    2.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    2.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    4.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    3.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848    2.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3630    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675    0.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335    0.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5540    0.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335   -0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1996    0.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0656   -0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0656    0.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1996   -1.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9595   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656   -0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8081   -2.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675   -2.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6799   -2.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7966   -3.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7297   -1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5401   -2.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6568   -4.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5285   -3.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2720   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1784    4.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5336    4.6705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2249    1.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9530    2.0577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    4.7525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    4.4283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7997    2.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4445    1.8155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9348    3.6524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9352    2.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4075   -2.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4013    0.7509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8475   -2.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675   -2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -2.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6871   -1.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6496   -4.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9558   -3.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8053   -2.9828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5882   -2.1334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 37  1  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 31  1  0  0  0  0
  5 35  1  0  0  0  0
  5 38  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  8 25  1  0  0  0  0
  8 29  2  0  0  0  0
  9 27  1  0  0  0  0
  9 30  1  0  0  0  0
  9 56  1  0  0  0  0
 10 34  3  0  0  0  0
 11 14  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 17  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 53  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 34  1  0  0  0  0
 29 57  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 35  1  0  0  0  0
 32 61  1  0  0  0  0
 33 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
 36 62  1  0  0  0  0
 38 63  1  0  0  0  0
 38 64  1  0  0  0  0
 38 65  1  0  0  0  0
M  END

$$$$
D03MTN
  -OEChem-10101305022D

118124  0     1  0  0  0  0  0999 V2000
    7.7150   -2.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6401    0.5711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7856   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9829   -2.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7227   -0.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945    0.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586   -0.5021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470   -3.5020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868   -1.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    0.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022    2.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740    3.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    2.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420   -0.9631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3760   -0.4631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4660   -0.9699    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4580   -2.0115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1081   -0.4631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03MZQ
          01051100072D 1   1.00000     0.00000     0

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  6  7  1  0     0  0
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  1  2  1  0     0  0
M  END

$$$$
D03NHW
  -OEChem-10101305032D

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 15 34  1  0  0  0  0
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 16 32  1  0  0  0  0
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 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
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 20 25  2  0  0  0  0
 20 38  1  0  0  0  0
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 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

$$$$
D03NOS
  -OEChem-04152110432D

 33 34  0     1  0  0  0  0  0999 V2000
    3.4030    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
  2 14  1  0  0  0  0
  2 32  1  0  0  0  0
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  4 27  1  0  0  0  0
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 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D03NPH
  -OEChem-10121501242D

 36 38  0     0  0  0  0  0  0999 V2000
    7.3517    1.0048    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.5388   -4.0289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8780   -2.7786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8169    1.6936    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9309    0.8816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END

$$$$
D03NTJ
  -OEChem-10101305022D

 85 88  0     0  0  0  0  0  0999 V2000
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   14.7281   -7.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 43  1  0  0  0  0
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 13 48  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
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 20 22  1  0  0  0  0
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 23 62  1  0  0  0  0
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 25 64  1  0  0  0  0
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 26 29  1  0  0  0  0
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 27 30  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 33  2  0  0  0  0
 28 70  1  0  0  0  0
 29 32  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 31 38  1  0  0  0  0
 31 73  1  0  0  0  0
 32 37  1  0  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 33 36  1  0  0  0  0
 33 40  1  0  0  0  0
 34 36  2  0  0  0  0
 34 76  1  0  0  0  0
 35 39  1  0  0  0  0
 35 77  1  0  0  0  0
 36 78  1  0  0  0  0
 37 41  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 38 39  2  0  0  0  0
 38 81  1  0  0  0  0
 39 82  1  0  0  0  0
 41 83  1  0  0  0  0
 41 84  1  0  0  0  0
 41 85  1  0  0  0  0
M  END

$$$$
D03OFF
  -OEChem-10111523542D

 45 47  0     1  0  0  0  0  0999 V2000
    8.1097    3.2088    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5575    5.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734    3.8475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    4.8180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6156    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    4.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2406    2.7668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -5.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  2  0  0  0  0
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  5 37  1  0  0  0  0
  6 18  2  0  0  0  0
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  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  2  0  0  0  0
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 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 12 17  2  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
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 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
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 20 24  2  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
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 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END

$$$$
D03OIW
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    2.0000    2.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4873   -1.2147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4873   -2.8242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -3.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  2  0  0  0  0
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  6 15  2  0  0  0  0
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  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D03PIR
  -OEChem-04152110102D

 40 43  0     1  0  0  0  0  0999 V2000
    7.0468   -1.5407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.0407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.4538    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6267    0.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8540   -0.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.0407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6267   -1.7534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2653   -1.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0412   -2.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.0525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6241   -1.0699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8809   -2.0363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5932   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5597   -2.7676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2890   -0.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    2.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 18  2  0  0  0  0
  5 23  1  0  0  0  0
  5 38  1  0  0  0  0
  6 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 17  9  1  1  0  0  0
  9 24  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 26  2  0  0  0  0
 13 14  1  0  0  0  0
 13 27  2  0  0  0  0
 15 28  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  6  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 24 25  1  0  0  0  0
 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
 27 39  1  0  0  0  0
 28 40  1  0  0  0  0
M  END

$$$$
D03PTH
  SciTegic12111210002D

 14 15  0  0  1  0            999 V2000
    1.2792    1.3583    0.0000 C   0  0
    0.4792    0.9000    0.0000 N   0  0
    1.2792    2.3000    0.0000 N   0  0
    2.0792    0.9000    0.0000 C   0  0
    2.8667   -0.4792    0.0000 C   0  0
    2.0792   -0.0167    0.0000 C   0  0
    2.9917   -1.4042    0.0000 S   0  0
    3.9250   -1.5792    0.0000 C   0  0
    3.6917   -0.0792    0.0000 C   0  0
    4.3417   -0.7542    0.0000 C   0  0
   -0.3208    1.3583    0.0000 C   0  0
    0.4792    2.7583    0.0000 C   0  0
    0.4792   -0.0167    0.0000 C   0  0
   -0.3208    2.3000    0.0000 C   0  0
  2  1  1  0
  3  1  2  0
  4  1  1  0
  5  6  1  0
  6  4  2  0
  7  5  1  0
  8  7  1  0
  9  5  2  0
 10  9  1  0
 11  2  1  0
 12  3  1  0
 13  2  1  0
 14 12  1  0
 11 14  1  0
 10  8  2  0
M  END

$$$$
D03QBS
          01220513062D 1   1.00000     0.00000     0

 16 17  0     0  0            999 V2000
   -0.4083   -2.4917    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0250   -2.1417    0.0000 N   0  3  0  0  0  0           0  0  0
    3.1542   -2.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5792   -2.1417    0.0000 N   0  0  3  0  0  0           0  0  0
    0.1667   -2.0792    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9667   -2.4917    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.1875   -3.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7417   -2.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3542   -2.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5208   -3.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7250   -2.1417    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0292   -1.4292    0.0000 O   0  5  0  0  0  0           0  0  0
   -1.6375   -2.4958    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1542   -3.2625    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8000   -1.4625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5083   -1.4625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  4  1  0     0  0
  4  6  1  0     0  0
  5  1  1  0     0  0
  6  9  2  0     0  0
  7  1  2  0     0  0
  8  5  1  0     0  0
  9  8  1  0     0  0
 10  7  1  0     0  0
 11  3  1  0     0  0
 12  2  1  0     0  0
 13  2  2  0     0  0
 14  3  2  0     0  0
 15  4  1  0     0  0
 16 15  1  0     0  0
 10  8  2  0     0  0
 16 11  1  0     0  0
M  CHG  2   2   1  12  -1
M  END

$$$$
D03QGM
  -OEChem-04152109092D

 46 47  0     1  0  0  0  0  0999 V2000
    6.3301   -3.2609    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -4.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -2.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    2.7336    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.2391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.7609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7391    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2437    1.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    2.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    3.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994    4.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102    2.0768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337    0.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453    0.9679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3277    1.6148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4144    2.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    3.1937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    3.5312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.8217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.1314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    3.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630    2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5059    4.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0283    4.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2930    4.5098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.2978    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 20  1  0  0  0  0
  2 16  2  0  0  0  0
  3 19  1  0  0  0  0
  3 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 35  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D03QIP
  -OEChem-04152122272D

 17 17  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5086    0.0000 F  -1  0  0  0  0  0  0  0  0  0  0  0
    5.2071    1.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071   -0.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    1.1986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071   -0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071   -1.4215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3271   -0.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    0.8186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0871    0.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444   -1.3742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1702    1.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440    1.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271    1.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  ISO  1   1  18
M  END

$$$$
D03QJL
  -OEChem-10121501312D

 35 36  0     0  0  0  0  0  0999 V2000
    5.9674   -0.7364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.0298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -1.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285   -0.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988    1.7811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249    0.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719   -0.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988    0.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719    2.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249    2.4011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704   -0.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359   -0.9404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147   -1.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0424   -2.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8244   -2.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211   -2.0324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D03QRS
  -OEChem-10111523232D

177184  0     1  0  0  0  0  0999 V2000
   16.3584   -5.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3691   -6.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6655   -1.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4194   -3.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7073   -7.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7265   -0.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7194    4.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6979    4.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0586    0.3928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    3.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4123    0.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368    4.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6476   -3.9924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0227   -3.6605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0913   -6.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7085   -2.3782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5796   -1.1408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3728   -0.8895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6868   -8.8242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7730   -4.6063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3478    1.5496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6648    3.7396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    5.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 63 75  1  0  0  0  0
 63138  1  0  0  0  0
 64 71  1  0  0  0  0
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 64139  1  0  0  0  0
 65 70  1  0  0  0  0
 65140  1  0  0  0  0
 65141  1  0  0  0  0
 66 74  1  0  0  0  0
 66144  1  0  0  0  0
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 68 73  1  0  0  0  0
 68 81  1  0  0  0  0
 68147  1  0  0  0  0
 69 79  1  0  0  0  0
 69148  1  0  0  0  0
 71 82  1  0  0  0  0
 71150  1  0  0  0  0
 71151  1  0  0  0  0
 74 78  1  0  0  0  0
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 79159  1  0  0  0  0
 80160  1  0  0  0  0
 81161  1  0  0  0  0
 81162  1  0  0  0  0
 82 89  2  0  0  0  0
 83163  1  0  0  0  0
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 85165  1  0  0  0  0
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 86166  1  0  0  0  0
 87 92  1  0  0  0  0
 87167  1  0  0  0  0
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 89170  1  0  0  0  0
 90 94  2  0  0  0  0
 90171  1  0  0  0  0
 91 94  1  0  0  0  0
 91172  1  0  0  0  0
 92 93  2  0  0  0  0
 92173  1  0  0  0  0
 93174  1  0  0  0  0
 95176  1  0  0  0  0
M  END

$$$$
D03QWT
  -OEChem-10101305032D

 51 53  0     1  0  0  0  0  0999 V2000
    7.6567   -1.9134    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0931    3.1121    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040   -3.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0876    3.2166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    3.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179   -2.4134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7500   -0.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4931    0.5353    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6648    0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9866   -0.5736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3240   -1.7338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2633    0.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8265    0.8632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7926    1.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
 21  1  1  1  0  0  0
  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
  2 11  1  0  0  0  0
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 19  4  1  6  0  0  0
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 10 23  1  0  0  0  0
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 10 44  1  0  0  0  0
 11 27  1  0  0  0  0
 11 48  1  0  0  0  0
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 13 14  1  0  0  0  0
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 13 28  1  6  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 14 29  1  1  0  0  0
 15 17  1  0  0  0  0
 15 20  1  1  0  0  0
 15 30  1  0  0  0  0
 17 18  2  0  0  0  0
 18 26  1  0  0  0  0
 19 25  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 27  1  1  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D03RCJ
  -OEChem-04152122252D

 14 11  0     0  0  0  0  0  0999 V2000
    8.0622    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END

$$$$
D03ROX
  -OEChem-10121500382D

 51 52  0     1  0  0  0  0  0999 V2000
    3.3660   -3.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    4.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -5.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.1830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.8301    5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    6.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5826   -5.9710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2320    4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 51  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 37  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  0  0  0  0
 17 22  2  0  0  0  0
 17 42  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 43  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END

$$$$
D03RTK
  -OEChem-10111523562D

 97105  0     1  0  0  0  0  0999 V2000
    5.9559   -0.8499    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8868    3.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2682   -0.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1426   -0.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1634   -1.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712    1.9278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280   -1.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    3.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5761   -2.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6724   -2.7676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -0.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7036   -4.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042    2.0841    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.7049    1.0836    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2847   -3.3587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03RTS
  -OEChem-10111523592D

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M  END

$$$$
D03RZV
  -OEChem-10121501262D

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    1.4631   -2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END

$$$$
D03SFU
  -OEChem-04152110112D

 45 46  0     1  0  0  0  0  0999 V2000
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    4.5981   -0.8343    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -3.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    3.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    3.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.7517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.4420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -3.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6760   -4.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611    3.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
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  5 10  1  0  0  0  0
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  6 21  1  0  0  0  0
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  7 14  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END

$$$$
D03SKD
  -OEChem-10121501092D

 44 48  0     1  0  0  0  0  0999 V2000
    2.2314   -0.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561   -2.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1607   -1.4511    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.6897   -0.9755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5133   -1.4511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3370   -0.9755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -1.4511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2392   -0.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   -0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   -2.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370   -0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5918   -0.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   -2.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5133    1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800    2.9021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  7  2  1  1  0  0  0
  2 36  1  0  0  0  0
  3 17  2  0  0  0  0
  4 21  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  6  0  0  0
  9 17  1  0  0  0  0
  9 25  1  1  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 21  2  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D03SKR
  -OEChem-10121500332D

 23 24  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4547    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.6386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472    2.4999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    2.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5956    0.9210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6823    1.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    2.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END

$$$$
D03SRY
  -OEChem-10101305022D

 60 63  0     1  0  0  0  0  0999 V2000
    2.0000   -0.4560    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7205   -3.4627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9781    3.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282   -0.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.5306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.9661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7213    2.0796    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7213    1.0796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8552    0.5796    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9892    1.0796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6675    2.3843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8552    2.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6675    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9892    2.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2511    1.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8713   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7213    3.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792    0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
M  END

$$$$
D03SSE
  -OEChem-10121501192D

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M  END

$$$$
D03SVX
  -OEChem-10121500292D

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 39 90  1  0  0  0  0
 39 91  1  0  0  0  0
 39 92  1  0  0  0  0
M  END

$$$$
D03SXE
  -OEChem-04152122252D

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 34 70  1  0  0  0  0
 34 71  1  0  0  0  0
M  END

$$$$
D03TGJ
  -OEChem-10101305032D

 33 34  0     1  0  0  0  0  0999 V2000
    7.6849    2.8815    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 20 33  1  0  0  0  0
M  END

$$$$
D03TPR
  -OEChem-04152108422D

 35 35  0     1  0  0  0  0  0999 V2000
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 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 19  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2   5   1   7  -1
M  END

$$$$
D03TTQ
  -OEChem-04152109302D

 86 87  0     0  0  0  0  0  0999 V2000
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    2.0000   -7.0209    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.6578    0.5209    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.2558   -3.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0501    2.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238    0.0209    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.4520    6.0209    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5238   -0.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8180    6.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8180    4.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -6.0209    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.4443    6.0484    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   13.3180    3.5209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3180    2.5209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6418   -5.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7200    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4520    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4520    2.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5860    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8539   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7200    2.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3180    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0501    6.1409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145   -3.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8029    6.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6442   -6.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2519    3.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9879    1.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5860   -0.0991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -6.1305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3318    2.1701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2580    2.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909   -0.7891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1830    2.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9879   -1.5991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5860    3.1409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0080   -0.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 71  1  0  0  0  0
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 27 53  1  0  0  0  0
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 29 33  1  0  0  0  0
 29 37  2  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 38  2  0  0  0  0
 31 39  1  0  0  0  0
 31 43  2  0  0  0  0
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 32 44  2  0  0  0  0
 33 41  2  0  0  0  0
 34 42  2  0  0  0  0
 35 39  2  0  0  0  0
 35 41  1  0  0  0  0
 36 40  2  0  0  0  0
 36 42  1  0  0  0  0
 37 47  1  0  0  0  0
 38 48  1  0  0  0  0
 39 63  1  0  0  0  0
 40 64  1  0  0  0  0
 43 45  1  0  0  0  0
 43 65  1  0  0  0  0
 44 46  1  0  0  0  0
 44 66  1  0  0  0  0
 45 47  2  0  0  0  0
 46 48  2  0  0  0  0
 47 67  1  0  0  0  0
 48 68  1  0  0  0  0
 49 50  1  0  0  0  0
 49 55  2  0  0  0  0
 49 57  1  0  0  0  0
 50 56  2  0  0  0  0
 50 58  1  0  0  0  0
 51 53  2  0  0  0  0
 51 55  1  0  0  0  0
 51 61  1  0  0  0  0
 52 54  2  0  0  0  0
 52 56  1  0  0  0  0
 52 62  1  0  0  0  0
 53 59  1  0  0  0  0
 54 60  1  0  0  0  0
 55 69  1  0  0  0  0
 56 70  1  0  0  0  0
 57 59  2  0  0  0  0
 57 75  1  0  0  0  0
 58 60  2  0  0  0  0
 58 76  1  0  0  0  0
 59 77  1  0  0  0  0
 60 78  1  0  0  0  0
 61 81  1  0  0  0  0
 61 82  1  0  0  0  0
 61 83  1  0  0  0  0
 62 84  1  0  0  0  0
 62 85  1  0  0  0  0
 62 86  1  0  0  0  0
M  CHG  8   5   1   6   1   7   1   8   1  11  -1  12  -1  17  -1  18  -1
M  END

$$$$
D03TVW
  -OEChem-04152110102D

 28 28  0     1  0  0  0  0  0999 V2000
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    2.8090    1.6068    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928   -1.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7891   -1.3068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -0.6888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    0.5984    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9360   -0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712    1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3090    3.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5992    1.2049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0563    1.7283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3478   -0.2739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753   -1.6885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0086   -2.2809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    3.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    3.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    2.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8436   -3.1456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  2  0  0  0  0
  4 12  2  0  0  0  0
  5 15  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D03TYI
  -OEChem-04152109582D

 54 55  0     0  0  0  0  0  0999 V2000
    7.9379    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9379   11.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2058    1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2058    8.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0718    3.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718    9.7369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7501    3.4247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7501   10.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8039    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3337    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3337    9.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D03UOT
  -OEChem-10101305032D

 14 14  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03UQM
  -OEChem-04152110162D

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M  END

$$$$
D03UVS
  -OEChem-10121500282D

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    4.4467    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6653   -2.7891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8943   -0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880   -3.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162   -3.3175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823   -3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497    0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497    2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9837    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9098    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 10  4  1  6  0  0  0
  4 24  1  0  0  0  0
  5 14  1  0  0  0  0
  5 26  1  0  0  0  0
  6 16  2  0  0  0  0
 13  7  1  1  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  2  0  0  0  0
  9 18  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  1  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D03VDC
  SciTegic01161211252D

  5  3  0  0  0  0            999 V2000
    1.1167   -0.5458    0.0000 Si  0  0
    1.1167    0.1708    0.0000 O   0  0
    1.7333   -0.9000    0.0000 O   0  5
    0.5000   -0.9000    0.0000 O   0  5
    1.1208   -1.7625    0.0000 Mg  0  2
  2  1  2  0
  3  1  1  0
  4  1  1  0
M  CHG  3   3  -1   4  -1   5   2
M  END

$$$$
D03VFL
  -OEChem-02051501282D

 66 67  0     1  0  0  0  0  0999 V2000
   12.8660   -3.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3962   -1.0739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -2.5981    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0000   -1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8660   -1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7321   -1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7321   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6260   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6260   -3.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5321   -1.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5321   -2.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7879   -1.0155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3894   -1.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4174   -2.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1077   -3.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2646   -0.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4675   -0.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9631   -3.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1900   -4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0369   -3.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826   -1.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -1.1215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1900   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6188   -0.4435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6188   -3.7527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0678   -2.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4174   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0826    0.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3923    0.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0369   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8100    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9631    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9343   -1.3818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077    0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    1.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    2.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0369    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9631    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    3.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631    3.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2 15  1  0  0  0  0
  2 52  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  9  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  8  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 40  1  0  0  0  0
 12 15  2  0  0  0  0
 12 41  1  0  0  0  0
 13 16  2  0  0  0  0
 13 42  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  2  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 26  2  0  0  0  0
 25 60  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
M  END

$$$$
D03VNJ
  -OEChem-10101305022D

417420  0     1  0  0  0  0  0999 V2000
   36.6962   -1.9509    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.9172    1.0359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.1861    0.3536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.1812  -10.6614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8787  -13.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3177   12.6239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6442   10.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4973   -7.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9587    7.4402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8764   13.4533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6622   -4.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8779  -14.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4061   -6.6770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1157   16.9092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6553   -1.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3976    6.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7078   -5.0919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2851    5.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5545  -14.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2756    4.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6026    1.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5996    2.2565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3243  -14.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622   -2.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1882    3.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8822   -6.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7942    0.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7910  -13.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5917  -12.1074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0268   -9.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7942   -2.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7431  -16.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4863    3.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7610    3.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263   -2.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1244    0.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2444   -2.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6603    0.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7474  -10.9117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2404   -8.3258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7615   11.8636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.4474  -12.8160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4398   14.4209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0808    9.2372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.7395   -5.3819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.3043   -9.0397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4024    6.6799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1823   -2.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3130   12.4857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6283  -13.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5293    8.6151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9937   15.1122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6385    0.1076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7217    4.0535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.6430  -13.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.0333   -8.9371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.2577  -10.4857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8692   13.2460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.7429    2.4461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1559    3.0168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.7452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7495   11.5181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8649  -12.6464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4096    6.8872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7942   -1.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2523   -8.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9659    7.6475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3014    1.9660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4798    2.7763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03VPC
  -OEChem-10121501122D

 54 57  0     0  0  0  0  0  0999 V2000
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 13 37  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 24  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 26  1  0  0  0  0
 22 25  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D03VXJ
  -OEChem-04152110062D

  2  1  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END

$$$$
D03VZH
  -OEChem-10121501152D

 18 17  0     1  0  0  0  0  0999 V2000
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  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  3  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END

$$$$
D03WAJ
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    4.3246   -1.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    1.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7887   -1.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9227    0.1940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567   -1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818   -0.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6906    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568    1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818    1.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906   -0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906    1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9227   -0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -1.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3955    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1433    1.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7276    1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006    2.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537    2.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567   -1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4596    0.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3 18  2  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  4 36  1  0  0  0  0
  5 15  1  0  0  0  0
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  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 17  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D03WEX
  -OEChem-10121501282D

 43 45  0     0  0  0  0  0  0999 V2000
    5.4641   -0.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -3.3469    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  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
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 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D03WLI
  -OEChem-04152122242D

 50 49  0     0  0  0  0  0  0999 V2000
    9.4651   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
  1 46  1  0  0  0  0
  2 23  2  0  0  0  0
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  4 48  1  0  0  0  0
  5 26  1  0  0  0  0
  5 49  1  0  0  0  0
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  6 50  1  0  0  0  0
  7 24  2  0  0  0  0
  8 25  2  0  0  0  0
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 10 27  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
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 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 23  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 24  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 25  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 26  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 27  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D03WPA
  -OEChem-10101305032D

 45 49  0     1  0  0  0  0  0999 V2000
    8.6651    2.5242    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6077   -1.2382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    0.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7432   -0.7307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2465    0.1333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7436   -0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03WWG
  -OEChem-04152109562D

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M  END

$$$$
D03XES
  -OEChem-10101305022D

 40 41  0     1  0  0  0  0  0999 V2000
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 18 38  1  0  0  0  0
M  END

$$$$
D03XOC
  -OEChem-10121501012D

 51 55  0     1  0  0  0  0  0999 V2000
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  6  1  1  6  0  0  0
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 18  2  1  1  0  0  0
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 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
M  END

$$$$
D03XSJ
  -OEChem-10121501122D

 64 67  0     1  0  0  0  0  0999 V2000
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  1 30  1  0  0  0  0
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  2  5  1  0  0  0  0
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 10 17  2  0  0  0  0
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 29 31  1  0  0  0  0
 29 63  1  0  0  0  0
 31 64  1  0  0  0  0
M  END

$$$$
D03XTC
  -OEChem-10121501152D

 46 46  0     1  0  0  0  0  0999 V2000
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
M  END

$$$$
D03XYW
  -OEChem-10121500292D

 32 33  0     1  0  0  0  0  0999 V2000
    2.8660   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 31  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D03YGR
  -OEChem-10121500062D

 48 50  0     1  0  0  0  0  0999 V2000
    3.0000   -5.0173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000   -4.0173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7320   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2241    5.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  5  4  1  1  0  0  0
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  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 35  1  0  0  0  0
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 11 37  1  0  0  0  0
 12 16  1  0  0  0  0
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 13 20  1  0  0  0  0
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 14 38  1  0  0  0  0
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 15 39  1  0  0  0  0
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 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 19 23  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 20 44  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END

$$$$
D03YLZ
  -OEChem-10101305022D

 36 36  0     1  0  0  0  0  0999 V2000
    6.0010    4.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
 11  4  1  1  0  0  0
  4 31  1  0  0  0  0
  5 13  1  0  0  0  0
  5 35  1  0  0  0  0
  8 19  2  0  0  0  0
 10  9  1  6  0  0  0
  9 19  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D03YVO
  -OEChem-10101305032D

 53 57  0     1  0  0  0  0  0999 V2000
    3.4219    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
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  8  2  1  1  0  0  0
  2 50  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
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  5 26  1  0  0  0  0
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  6 11  1  0  0  0  0
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 10 11  1  0  0  0  0
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 10 30  1  0  0  0  0
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 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 40  1  0  0  0  0
 18 25  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 27 52  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D03ZBN
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    2.8660    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.8647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010    0.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    0.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    1.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  2  0  0  0  0
  4 18  1  0  0  0  0
  5 19  3  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D03ZBT
  -OEChem-10121500312D

 52 55  0     1  0  0  0  0  0999 V2000
    6.8671    1.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7621   -3.7351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1839   -2.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
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  3 28  1  0  0  0  0
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 22  4  1  1  0  0  0
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 10 11  1  0  0  0  0
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 13 36  1  0  0  0  0
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 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 42  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 44  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 45  1  0  0  0  0
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 25 46  1  0  0  0  0
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 25 48  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D03ZFG
  -OEChem-04152109182D

 33 33  0     1  0  0  0  0  0999 V2000
    4.7690   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -0.3170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.1350    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4651   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0632    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3732   -0.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6002    0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
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  5  7  1  1  0  0  0
  5 17  1  0  0  0  0
  6  9  1  1  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END

$$$$
D03ZFN
  -OEChem-10121501272D

 19 18  0     0  0  0  0  0  0999 V2000
    3.4030    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END

$$$$
D03ZJE
  -OEChem-04152108552D

 48 48  0     1  0  0  0  0  0999 V2000
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  1 15  1  0  0  0  0
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  2 17  2  0  0  0  0
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 11  5  1  6  0  0  0
  5 20  1  0  0  0  0
  5 43  1  0  0  0  0
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  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
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 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  END

$$$$
D03ZTE
  -OEChem-10101305022D

 68 71  0     1  0  0  0  0  0999 V2000
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   12.1212    1.8513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  1  1  6  0  0  0
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 24  2  1  6  0  0  0
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 10 16  1  0  0  0  0
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 23 24  1  0  0  0  0
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 26 64  1  0  0  0  0
 27 28  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
M  END

$$$$
D03ZZK
  -OEChem-10121501072D

 67 71  0     1  0  0  0  0  0999 V2000
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 35 67  1  0  0  0  0
M  END

$$$$
D04AAN
  -OEChem-10121501192D

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 26 52  1  0  0  0  0
M  END

$$$$
D04AAW
  -OEChem-10101305032D

 32 32  0     1  0  0  0  0  0999 V2000
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 12 21  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
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D04ACW
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
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    6.8671    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    2.5369    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
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  3  9  1  0  0  0  0
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  3 13  1  0  0  0  0
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  5 35  1  0  0  0  0
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  6 19  1  0  0  0  0
  7 25  3  0  0  0  0
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  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
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 13 14  2  0  0  0  0
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 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
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 15 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 40  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D04AIT
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    6.8671    0.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   -2.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    0.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    1.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  2  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  1  0  0  0  0
  5 30  1  0  0  0  0
  6 21  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
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  9 12  2  0  0  0  0
 10 15  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
M  END

$$$$
D04APR
  -OEChem-10101305022D

107113  0     1  0  0  0  0  0999 V2000
    6.6688    1.0369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.5902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1688    1.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04AQH
  -OEChem-04152109562D

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235481  1  0  0  0  0
M  END

$$$$
D04ASH
  -OEChem-04152109052D

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M  END

$$$$
D04ATM
  -OEChem-10101305032D

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 20  2  1  1  0  0  0
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 20 24  1  0  0  0  0
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 21 48  1  0  0  0  0
 22 25  1  0  0  0  0
 22 49  1  0  0  0  0
 23 25  1  0  0  0  0
 23 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

$$$$
D04BCB
  -OEChem-04152109552D

 58 61  0     1  0  0  0  0  0999 V2000
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   10.0160    1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0160    5.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8820    3.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7480    5.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8820    5.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7480    4.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6141    6.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 40  1  0  0  0  0
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 23 25  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 52  1  0  0  0  0
 30 33  2  0  0  0  0
 30 53  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 54  1  0  0  0  0
 33 55  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
M  END

$$$$
D04BCW
  -OEChem-04152108512D

 39 40  0     0  0  0  0  0  0999 V2000
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    7.4115    0.9663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7660    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 32  1  0  0  0  0
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 15 34  1  0  0  0  0
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 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D04BKZ
  -OEChem-04152122232D

 73 67  0     1  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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  2 16  1  0  0  0  0
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  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
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 29 39  1  0  0  0  0
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 30 40  1  0  0  0  0
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 34 44  2  0  0  0  0
 35 41  1  0  0  0  0
 36 42  1  0  0  0  0
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 41 45  1  0  0  0  0
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 43 63  1  0  0  0  0
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 45 67  1  0  0  0  0
 46 68  1  0  0  0  0
 46 69  1  0  0  0  0
 46 70  1  0  0  0  0
M  CHG  8   1   2   4   1   5   1   6   1   9  -1  10  -1  11  -1  12  -1
M  CHG  7  15  -1  16  -1  17  -1  18  -1  71   1  72   1  73   1
M  END

$$$$
D04BNP
  -OEChem-10121501252D

 34 36  0     1  0  0  0  0  0999 V2000
    8.1647    0.0492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D04CBI
  -OEChem-10101305032D

 48 51  0     1  0  0  0  0  0999 V2000
    8.0319    1.9472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 20  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END

$$$$
D04CFW
  -OEChem-04152108462D

 59 61  0     1  0  0  0  0  0999 V2000
    9.2365    3.0674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715    1.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8764   -0.2449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5236    0.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442    2.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5162   -1.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1561   -3.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8034   -3.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854    1.7584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715    3.4710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602    4.8882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854    2.7584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8242    2.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365    1.4493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2771    2.7625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2771    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333    2.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333    1.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5455    0.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6050    3.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8994    3.9228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1854   -1.1959    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9329    3.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1635   -1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273    4.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721    2.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2608    4.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    2.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8252   -2.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651   -4.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   -5.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542    3.5982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7981    1.0109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7041    2.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    2.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1349    3.2106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2688    3.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2688    1.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1349    1.3061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    2.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7332    4.0696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4619    4.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789   -1.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7227    5.3275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7594    5.0474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0346   -2.0103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7700   -1.5327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2924   -0.7974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3890    4.9730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1096    2.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8233    4.5570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440    1.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468   -5.0729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0126   -4.2933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3353   -4.9126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812   -5.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2568   -5.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 16  2  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  2  0  0  0  0
  6 22  1  0  0  0  0
  6 29  1  0  0  0  0
  7 29  1  0  0  0  0
  7 31  1  0  0  0  0
  8 29  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
 15 10  1  1  0  0  0
 10 20  1  0  0  0  0
 10 42  1  0  0  0  0
 21 11  1  1  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  6  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  6  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 51  1  0  0  0  0
 27 30  2  0  0  0  0
 27 52  1  0  0  0  0
 28 30  1  0  0  0  0
 28 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
M  END

$$$$
D04CJL
  -OEChem-04152110082D

 19 17  0     0  0  0  0  0  0999 V2000
    5.6039   -0.7078    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    2.5123   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -1.3313    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2236   -1.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5048   -1.1417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6039    0.2922    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2321   -1.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0446    1.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3311   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220    0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506    0.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352   -0.1699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471    1.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427    0.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  CHG  4   1   3   3  -1   5  -1   6  -1
M  END

$$$$
D04CRL
  -OEChem-10191522542D

  8  7  0     0  0  0  0  0  0999 V2000
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END

$$$$
D04CRN
  -OEChem-10121501102D

 40 41  0     1  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  2  0  0  0  0
  9 26  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  2  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END

$$$$
D04CSZ
  -OEChem-04152108592D

 31 31  0     1  0  0  0  0  0999 V2000
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
M  END

$$$$
D04DJN
  -OEChem-10111523572D

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 20 50  1  0  0  0  0
M  END

$$$$
D04DKH
  -OEChem-10101305022D

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 28 29  2  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D04DXA
  -OEChem-10101305032D

 57 59  0     1  0  0  0  0  0999 V2000
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 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$
D04DXN
          06251101312D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
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 10  8  2  0     0  0
 11  7  1  0     0  0
 12  7  2  0     0  0
 13 10  1  0     0  0
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 16  9  2  0     0  0
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 18 14  1  0     0  0
 13 17  2  0     0  0
 15 18  2  0     0  0
M  END

$$$$
D04EGX
  -OEChem-10121500142D

 70 73  0     1  0  0  0  0  0999 V2000
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 33 70  1  0  0  0  0
M  END

$$$$
D04EYC
  -OEChem-10121501192D

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 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END

$$$$
D04FBR
  -OEChem-10121501002D

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 23 26  2  0  0  0  0
 23 48  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 30  1  0  0  0  0
 27 51  1  0  0  0  0
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 27 53  1  0  0  0  0
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 28 54  1  0  0  0  0
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 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
M  END

$$$$
D04FVU
  -OEChem-10121501392D

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 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END

$$$$
D04GJN
  -OEChem-10101305022D

 55 58  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04GKO
  -OEChem-10121500502D

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 30 58  1  0  0  0  0
M  END

$$$$
D04GSY
  -OEChem-04152108462D

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M  END

$$$$
D04GYO
  -OEChem-10101305032D

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    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    0.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 22  1  0  0  0  0
  3 21  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  8 17  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 29  1  0  0  0  0
 14 20  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 24 26  2  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
M  END

$$$$
D04GZA
          07070900342D 1   1.00000     0.00000     0

 29 30  0     0  0            999 V2000
   -0.6556   -1.4750    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6568   -2.1857    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0419   -2.5402    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5703   -2.1852    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5675   -1.4713    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0437   -1.1205    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1797   -1.1151    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7943   -1.4673    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1774   -0.4068    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7908   -0.0552    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7887    0.6525    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1737    1.0054    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5594    0.6454    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5644   -0.0611    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7920   -2.1760    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4059   -2.5281    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0190   -2.1719    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0144   -1.4599    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4000   -1.1110    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6340   -2.5232    0.0000 N   0  3  0  0  0  0           0  0  0
    3.6373   -3.2315    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2458   -2.1662    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1704    1.7137    0.0000 N   0  0  3  0  0  0           0  0  0
    1.7822    2.0707    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5553    2.0650    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2704   -2.5395    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.8836   -2.1850    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2708   -3.2478    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1458   -0.9083    0.0000 Cl  0  5  0  0  0  0           0  0  0
 13 14  2  0     0  0
 14  9  1  0     0  0
  5  6  2  0     0  0
  8 15  1  0     0  0
  6  1  1  0     0  0
 15 16  2  0     0  0
  1  2  2  0     0  0
 16 17  1  0     0  0
  5  7  1  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19  8  1  0     0  0
  7  8  2  0     0  0
 17 20  2  0     0  0
  2  3  1  0     0  0
 20 21  1  0     0  0
  7  9  1  0     0  0
 20 22  1  0     0  0
 12 23  1  0     0  0
  9 10  2  0     0  0
 23 24  1  0     0  0
  3  4  2  0     0  0
 23 25  1  0     0  0
 10 11  1  0     0  0
  2 26  1  0     0  0
 26 27  1  0     0  0
 11 12  2  0     0  0
 26 28  1  0     0  0
  4  5  1  0     0  0
 12 13  1  0     0  0
M  CHG  2  20   1  29  -1
M  END

$$$$
D04IEM
  -OEChem-04152111312D

 99 99  0     1  0  0  0  0  0999 V2000
    5.1350    6.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7953   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -7.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312   -5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -2.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04ITO
  -OEChem-04152110092D

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M  END

$$$$
D04JCN
  -OEChem-10121500282D

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 16 36  1  0  0  0  0
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 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END

$$$$
D04JEE
  -OEChem-04152108442D

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 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END

$$$$
D04JHN
  -OEChem-10121501082D

 40 44  0     1  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D04JMQ
  -OEChem-04152108492D

135137  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04JPJ
  -OEChem-10121501182D

 31 31  0     0  0  0  0  0  0999 V2000
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 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D04KAQ
  -OEChem-10101305022D

 61 63  0     1  0  0  0  0  0999 V2000
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 32 61  1  0  0  0  0
M  END

$$$$
D04KJO
  -OEChem-10121500112D

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M  END

$$$$
D04KTZ
  -OEChem-10101305032D

 47 50  0     1  0  0  0  0  0999 V2000
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 26 44  1  0  0  0  0
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 27 45  1  0  0  0  0
 28 29  2  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END

$$$$
D04KYY
  -OEChem-04152108382D

 14 15  0     0  0  0  0  0  0999 V2000
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  1  8  2  0  0  0  0
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  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D04KZY
  -OEChem-03101900402D

 84 88  0     0  0  0  0  0  0999 V2000
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 40 81  1  0  0  0  0
 40 82  1  0  0  0  0
M  END

$$$$
D04LCQ
  -OEChem-10121501362D

 66 67  0     1  0  0  0  0  0999 V2000
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  1 18  1  0  0  0  0
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 10  3  1  1  0  0  0
  3 42  1  0  0  0  0
 11  4  1  1  0  0  0
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 25 29  1  0  0  0  0
 25 55  1  0  0  0  0
 26 30  1  0  0  0  0
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 27 31  2  0  0  0  0
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 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
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 30 32  2  0  0  0  0
 30 64  1  0  0  0  0
 31 32  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  END

$$$$
D04LHJ
  -OEChem-04152108432D

 48 50  0     1  0  0  0  0  0999 V2000
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    1.7543    3.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  2  1  1  0  0  0
 10  2  1  1  0  0  0
  3 13  1  0  0  0  0
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 10 28  1  0  0  0  0
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 13 33  1  0  0  0  0
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 14 36  1  0  0  0  0
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 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D04LKS
  -OEChem-10121500412D

 41 44  0     1  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 13 34  1  0  0  0  0
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 17 37  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D04LVK
  -OEChem-10191523082D

 74 77  0     0  0  0  0  0  0999 V2000
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 29 34  2  0  0  0  0
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 36 73  1  0  0  0  0
 37 38  2  0  0  0  0
 38 74  1  0  0  0  0
M  END

$$$$
D04LYD
  CDK    8/10/10,12:22

 23 25  0  0  0  0  0  0  0  0999 V2000
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  6  7  2  0  0  0  0 
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 10 11  2  0  0  0  0 
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 13 14  1  0  0  0  0 
 10 14  1  0  0  0  0 
  7 15  1  0  0  0  0 
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 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 16 20  1  0  0  0  0 
 15 21  2  0  0  0  0 
  3 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
  2 23  2  0  0  0  0 
M  END

$$$$
D04MGU
          01071100412D 1   1.00000     0.00000     0

 22 20  0     1  0            999 V2000
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  2  1  2  0     0  0
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  7  6  1  1     0  0
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  5 10  2  0     0  0
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 14 13  1  6     0  0
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 16 15  1  0     0  0
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  4 13  1  0     0  0
 20 19  1  0     0  0
 11 19  1  0     0  0
 22 21  1  0     0  0
 18 21  1  0     0  0
M  CHG  4   1   3   6  -1   9  -1  16  -1
M  ISO  1   1  99
M  END

$$$$
D04MRG
  -OEChem-04152110372D

116122  0     1  0  0  0  0  0999 V2000
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 56111  1  0  0  0  0
 56112  1  0  0  0  0
M  END

$$$$
D04MRQ
  -OEChem-04152109142D

 23 24  0     0  0  0  0  0  0999 V2000
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  1 10  1  0  0  0  0
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  3  9  2  0  0  0  0
  3 15  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END

$$$$
D04MSM
  -OEChem-10121500362D

 30 32  0     0  0  0  0  0  0999 V2000
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 16 25  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D04MWJ
  -OEChem-04152108382D

 30 28  0     1  0  0  0  0  0999 V2000
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    5.4231    5.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D04NDM
  -OEChem-10101305022D

 87 90  0     1  0  0  0  0  0999 V2000
    8.0420   -0.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   -1.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8216   -0.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3975    2.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7741   -1.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -2.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9798    1.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8920   -0.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3756    2.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101   -4.0353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760   -3.8032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7741   -3.4372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    0.2948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2110    4.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5566    0.8743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0420   -1.4372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1760   -1.9372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1760   -2.9372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9081   -1.9372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9081   -2.9372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0420   -3.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9081    0.0628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9908    1.2652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0126    1.0573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4908    0.3992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3100   -1.4372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8101   -0.5711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8100   -0.5711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3920    2.2833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3100   -1.4372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7987    3.1968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8100   -2.3032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7933    3.3014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4853    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3811    2.4924    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9743    1.5788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3100   -3.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5621    0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790   -1.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760   -1.3172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5772   -2.7767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9081   -1.3172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9081   -3.5572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435   -3.9122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4406   -3.9122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    0.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6099    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    0.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7129   -0.1796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -0.9002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4300   -0.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -0.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398    1.7169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860   -4.3402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560   -3.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7741   -4.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110   -3.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.9002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0509    3.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -2.8402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4099    3.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110   -1.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0869    0.4447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4420    0.9132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7455    1.9908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7221    1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3984    2.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.8318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300    0.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8351   -2.7708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8351   -3.5678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0049    0.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7330    0.1738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4631    4.5723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5944    3.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    0.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    4.2797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5086   -0.6837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400    2.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9211    0.3727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8088    1.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5001   -4.5723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 20  1  1  6  0  0  0
 26  1  1  1  0  0  0
 21  2  1  1  0  0  0
 30  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 29  1  0  0  0  0
 27  4  1  6  0  0  0
 33  4  1  6  0  0  0
 23  5  1  1  0  0  0
  5 66  1  0  0  0  0
  6 30  1  0  0  0  0
  6 36  1  0  0  0  0
  7 33  1  0  0  0  0
  7 40  1  0  0  0  0
 28  8  1  6  0  0  0
  8 71  1  0  0  0  0
 32  9  1  6  0  0  0
  9 80  1  0  0  0  0
 34 10  1  1  0  0  0
 10 81  1  0  0  0  0
 37 11  1  1  0  0  0
 11 82  1  0  0  0  0
 12 38  1  0  0  0  0
 12 83  1  0  0  0  0
 39 13  1  6  0  0  0
 13 84  1  0  0  0  0
 14 41  1  0  0  0  0
 14 87  1  0  0  0  0
 22 15  1  6  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 24 16  1  6  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 31 17  1  1  0  0  0
 17 72  1  0  0  0  0
 17 73  1  0  0  0  0
 35 18  1  6  0  0  0
 18 78  1  0  0  0  0
 18 79  1  0  0  0  0
 19 42  1  0  0  0  0
 19 85  1  0  0  0  0
 19 86  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 38  1  1  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 32 34  1  0  0  0  0
 32 56  1  0  0  0  0
 33 35  1  0  0  0  0
 33 57  1  0  0  0  0
 34 36  1  0  0  0  0
 34 62  1  0  0  0  0
 35 37  1  0  0  0  0
 35 63  1  0  0  0  0
 36 41  1  6  0  0  0
 36 64  1  0  0  0  0
 37 39  1  0  0  0  0
 37 65  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 39 40  1  0  0  0  0
 39 69  1  0  0  0  0
 40 42  1  6  0  0  0
 40 70  1  0  0  0  0
 41 74  1  0  0  0  0
 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
 42 77  1  0  0  0  0
M  END

$$$$
D04NQI
  -OEChem-10101305022D

 47 49  0     0  0  0  0  0  0999 V2000
    9.5312    4.0068    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3996   -1.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   -4.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   -3.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -1.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    1.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028    2.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 12  1  0  0  0  0
  2 45  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 39  1  0  0  0  0
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  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
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  6 27  1  0  0  0  0
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  7 12  2  0  0  0  0
  8 14  1  0  0  0  0
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  8 29  1  0  0  0  0
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  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 33  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  2  0  0  0  0
 15 40  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 24  2  0  0  0  0
 21 43  1  0  0  0  0
 22 25  2  0  0  0  0
 22 44  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
M  END

$$$$
D04NTJ
  -OEChem-10101305022D

 58 60  0     0  0  0  0  0  0999 V2000
    9.7734    0.5059    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734    2.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2734   -0.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2734    1.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -4.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945   -5.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5054    3.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5054    2.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6394    1.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -2.9941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -5.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0054    5.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0054    5.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6289    4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819    4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6044    3.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4064    3.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6394    2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -0.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073   -0.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -2.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -3.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -4.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636   -4.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -4.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5640    5.9656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8674    6.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1434    6.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4468    5.9656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875    4.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0155    5.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9954    5.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8233    4.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9844    3.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4665    3.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5443    3.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0264    3.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0423    2.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1763    0.6959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0972   -0.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987   -1.6018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.1259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4443   -1.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5213   -3.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6383    0.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -2.1141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063   -2.6841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348   -3.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3834   -4.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -5.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 18  2  0  0  0  0
  5 27  2  0  0  0  0
  6 11  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 44  1  0  0  0  0
  9 18  1  0  0  0  0
  9 45  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  1  0  0  0  0
 10 54  1  0  0  0  0
 11 28  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 26  2  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D04NXQ
  -OEChem-10101305032D

 44 46  0     0  0  0  0  0  0999 V2000
    8.6651    1.2912    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -0.7571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3933   -1.7637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5254   -2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -0.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2574   -2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9334    0.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1364    0.2161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0511   -1.6470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470   -2.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0073   -0.8738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6115   -0.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -2.7338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9221   -2.7369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -1.3875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9453   -2.8028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7931   -2.5791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5695   -1.7313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -2.3155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   -2.7699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 20  2  0  0  0  0
  3 24  1  0  0  0  0
  3 44  1  0  0  0  0
  4 24  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D04OBB
  -OEChem-10121501222D

 38 39  0     1  0  0  0  0  0999 V2000
    2.8660    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  2  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  2  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D04ODH
  -OEChem-04152108452D

160165  0     1  0  0  0  0  0999 V2000
   15.5814   -3.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 53120  1  0  0  0  0
 53121  1  0  0  0  0
 54 60  1  0  0  0  0
 54 61  1  0  0  0  0
 54122  1  0  0  0  0
 55 58  1  0  0  0  0
 55 64  1  0  0  0  0
 55123  1  0  0  0  0
 58 62  1  0  0  0  0
 58127  1  0  0  0  0
 58128  1  0  0  0  0
 60 68  1  0  0  0  0
 60130  1  0  0  0  0
 60131  1  0  0  0  0
 62 66  1  0  0  0  0
 62 71  2  0  0  0  0
 63 65  1  0  0  0  0
 63 69  1  0  0  0  0
 63134  1  0  0  0  0
 66 70  1  0  0  0  0
 66 74  2  0  0  0  0
 67 72  1  0  0  0  0
 67 73  1  0  0  0  0
 67135  1  0  0  0  0
 68 77  2  0  0  0  0
 69 75  1  0  0  0  0
 69137  1  0  0  0  0
 69138  1  0  0  0  0
 70 76  2  0  0  0  0
 71139  1  0  0  0  0
 73146  1  0  0  0  0
 73147  1  0  0  0  0
 74 78  1  0  0  0  0
 74148  1  0  0  0  0
 75 81  2  0  0  0  0
 75 82  1  0  0  0  0
 76 79  1  0  0  0  0
 76150  1  0  0  0  0
 77151  1  0  0  0  0
 78 79  2  0  0  0  0
 78152  1  0  0  0  0
 79153  1  0  0  0  0
 80154  1  0  0  0  0
 81 83  1  0  0  0  0
 81155  1  0  0  0  0
 82 84  2  0  0  0  0
 82156  1  0  0  0  0
 83 85  2  0  0  0  0
 83158  1  0  0  0  0
 84 85  1  0  0  0  0
 84159  1  0  0  0  0
M  END

$$$$
D04OSE
  -OEChem-10111523492D

 43 44  0     0  0  0  0  0  0999 V2000
    2.8660   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -0.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    0.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 25  1  0  0  0  0
  2 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  2  0  0  0  0
  4 17  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 16 28  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 29  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D04PAN
  -OEChem-04152108432D

 26 25  0     0  0  0  0  0  0999 V2000
    2.0000   -2.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -0.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    1.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.3840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.3840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    2.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.8840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    0.8840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    2.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 26  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END

$$$$
D04PHC
  -OEChem-04152109022D

 26 26  0     1  0  0  0  0  0999 V2000
    3.4030    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1 21  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  3 12  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D04QIE
          06080701042D 1   1.00000     0.00000     0

 36 39  0     1  0            999 V2000
   11.9815    0.0020    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9878    0.8632    0.0000 C   0  0  1  0  0  0           0  0  0
   12.2334    1.2922    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9842    1.7272    0.0000 O   0  0  0  0  0  0           0  0  0
   12.7303    1.2934    0.0000 O   0  0  0  0  0  0           0  0  0
   12.2340    0.4309    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6250   -0.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6250   -0.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0579   -0.9333    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0579    0.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4865   -0.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4865   -0.6845    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9614   -0.8400    0.0000 O   0  0  0  0  0  0           0  0  0
    9.2511   -0.4360    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9615   -0.0321    0.0000 N   0  0  0  0  0  0           0  0  0
    9.7469   -0.4360    0.0000 N   0  0  3  0  0  0           0  0  0
    9.9969   -0.8703    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9969   -0.0018    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4969   -0.0018    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7469   -1.3004    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9969   -1.7347    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7469   -2.1606    0.0000 O   0  0  0  0  0  0           0  0  0
    9.2511   -2.1606    0.0000 C   0  0  0  0  0  0           0  0  0
   10.7437   -0.4372    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2431   -0.4375    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4938   -0.0028    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2400    0.4294    0.0000 C   0  0  0  0  0  0           0  0  0
   10.7418    0.4267    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0044   -1.7339    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5051   -1.7336    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2544   -2.1600    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5082   -2.5963    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0064   -2.5936    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7544   -2.1609    0.0000 O   0  0  0  0  0  0           0  0  0
    7.5077   -1.7355    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4878    0.8607    0.0000 O   0  0  0  0  0  0           0  0  0
  3  4  1  0     0  0
 16 18  1  0     0  0
 18 19  1  0     0  0
  7 10  2  0     0  0
 17 20  1  0     0  0
  8  9  2  0     0  0
 20 21  1  0     0  0
  9 12  1  0     0  0
 21 22  1  0     0  0
 11 10  1  0     0  0
 22 23  1  0     0  0
 11 12  2  0     0  0
 19 24  2  0     0  0
  3  5  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
  2  6  1  1     0  0
 26 27  1  0     0  0
  6  1  1  0     0  0
 27 28  2  0     0  0
 28 19  1  0     0  0
  7  8  1  0     0  0
 23 29  2  0     0  0
 12 13  1  0     0  0
 29 30  1  0     0  0
 13 14  1  0     0  0
 30 31  2  0     0  0
 14 15  2  0     0  0
 31 32  1  0     0  0
 15 11  1  0     0  0
 32 33  2  0     0  0
 33 23  1  0     0  0
  2  3  1  0     0  0
 31 34  1  0     0  0
 14 16  1  0     0  0
 34 35  1  0     0  0
 27 36  1  0     0  0
 36  2  1  0     0  0
 16 17  1  0     0  0
M  END

$$$$
D04QJD
  -OEChem-04152108472D

 43 44  0     1  0  0  0  0  0999 V2000
    8.9702    1.6086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704   -0.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6166    1.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 40  1  0  0  0  0
M  END

$$$$
D04QLR
  -OEChem-10121501152D

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M  END

$$$$
D04QNO
  -OEChem-04152122332D

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 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
M  END

$$$$
D04QSJ
  -OEChem-10101305022D

 51 53  0     0  0  0  0  0  0999 V2000
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 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END

$$$$
D04QST
  -OEChem-10121500532D

 47 49  0     1  0  0  0  0  0999 V2000
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 26 45  1  0  0  0  0
M  END

$$$$
D04QWE
  -OEChem-10121501182D

 46 49  0     1  0  0  0  0  0999 V2000
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    6.7747    3.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7243    3.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 44  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
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  3  4  1  0  0  0  0
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  3  9  1  0  0  0  0
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  4  8  1  0  0  0  0
  4 22  1  1  0  0  0
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 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
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 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  1  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 16 40  1  0  0  0  0
 17 19  2  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  2  0  0  0  0
 20 43  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
M  END

$$$$
D04QZD
  -OEChem-10121501282D

 33 35  0     1  0  0  0  0  0999 V2000
    3.9491    2.3497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170   -2.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3830    1.4487    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.7595    0.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    0.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -0.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  1  0  0  0
  1 28  1  0  0  0  0
  2 15  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  1  0  0  0  0
 14 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D04RCZ
          06190800392D 1   1.00000     0.00000     0

 24 25  0     1  0            999 V2000
    1.5034   -1.5621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4034   -0.6724    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3828   -1.7517    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.2310   -0.3034    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.1793   -3.0793    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6241    0.6759    0.0000 C   0  0  1  0  0  0           0  0  0
    2.0586   -3.2655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1552    1.1276    0.0000 N   0  0  0  0  0  0           0  0  0
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   -0.9345    0.6759    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.0517    2.4759    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4931    2.4759    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
 10  5  1  1     0  0
  8 11  2  0     0  0
 10 12  1  0     0  0
 10 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 13 16  2  0     0  0
 14 17  1  0     0  0
 14 18  2  0     0  0
 17 19  1  0     0  0
 20 19  1  1     0  0
 20 21  1  0     0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
 21 24  2  0     0  0
  6  7  1  0     0  0
  9 11  1  0     0  0
M  END

$$$$
D04RGA
  -OEChem-10101305032D

 78 77  0     1  0  0  0  0  0999 V2000
    5.4820    0.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3298    2.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5698    5.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    5.8278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0544    4.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  1  1  6  0  0  0
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M  END

$$$$
D04RLY
  -OEChem-10101305022D

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M  END

$$$$
D04RYU
  -OEChem-04152110392D

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M  END

$$$$
D04SFH
  -OEChem-10121501082D

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 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
M  END

$$$$
D04TDQ
  -OEChem-10101305032D

 53 57  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04TQO
  -OEChem-10191523082D

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 71133  1  0  0  0  0
 71134  1  0  0  0  0
 72135  1  0  0  0  0
 72136  1  0  0  0  0
M  END

$$$$
D04UAL
  -OEChem-04152109352D

 40 40  0     0  0  0  0  0  0999 V2000
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 19 38  1  0  0  0  0
M  END

$$$$
D04UKC
  -OEChem-10121500342D

 50 53  0     0  0  0  0  0  0999 V2000
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 29 43  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END

$$$$
D04URO
  -OEChem-10101305032D

 33 34  0     1  0  0  0  0  0999 V2000
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    3.3590    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9837   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9701   -1.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5248   -1.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658   -0.0799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222    0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3326    2.1655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5248   -3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9233   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3112    1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 33  1  0  0  0  0
  2 14  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END

$$$$
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

$$$$
D04UTT
  -OEChem-10121501402D

 54 56  0     1  0  0  0  0  0999 V2000
    6.3301    1.1727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    4.6968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    4.7074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    4.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3860    1.7553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7690    0.8487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220    1.0756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5420   -1.7303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -0.8833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    5.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    2.5682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7410    3.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -5.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  1  0  0  0
  1 44  1  0  0  0  0
  2 16  1  0  0  0  0
  2 25  1  0  0  0  0
  3 21  1  0  0  0  0
  3 51  1  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 31  1  0  0  0  0
  7 20  1  0  0  0  0
  7 27  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 17 41  1  0  0  0  0
 18 24  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 22 45  1  0  0  0  0
 23 26  2  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END

$$$$
D04UUH
  -OEChem-04152122252D

  6  3  0     0  0  0  0  0  0999 V2000
    4.5981    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  4   1  -1   2  -1   5   1   6   1
M  END

$$$$
D04UZN
  -OEChem-08301509502D

 65 67  0     0  0  0  0  0  0999 V2000
    3.5680    7.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   14.4300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010   15.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010   13.5640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   12.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   10.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   13.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   12.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   16.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   10.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   14.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   14.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   15.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   12.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991   15.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7331   16.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0010   11.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9710    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7030    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3301   16.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360   14.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   17.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 33  2  0  0  0  0
 31 51  1  0  0  0  0
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 34 35  1  0  0  0  0
 36 59  1  0  0  0  0
 37 60  1  0  0  0  0
 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
 38 63  1  0  0  0  0
 38 64  1  0  0  0  0
 38 65  1  0  0  0  0
M  END

$$$$
D04UZT
  -OEChem-10121501092D

 59 63  0     1  0  0  0  0  0999 V2000
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   11.3221   -0.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4585    1.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
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  5 29  1  1  0  0  0
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 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  3  0  0  0  0
 18 20  2  0  0  0  0
 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 51  1  0  0  0  0
 24 27  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
M  END

$$$$
D04VEJ
  -OEChem-04152110122D

 81 84  0     1  0  0  0  0  0999 V2000
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 41 76  1  0  0  0  0
 41 77  1  0  0  0  0
 42 43  1  0  0  0  0
 42 78  1  0  0  0  0
M  END

$$$$
D04VFJ
  -OEChem-10121500232D

 57 59  0     0  0  0  0  0  0999 V2000
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 16 22  1  0  0  0  0
 16 38  1  0  0  0  0
 17 23  2  0  0  0  0
 17 39  1  0  0  0  0
 18 24  1  0  0  0  0
 18 40  1  0  0  0  0
 19 25  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 26  2  0  0  0  0
 22 46  1  0  0  0  0
 23 26  1  0  0  0  0
 23 47  1  0  0  0  0
 24 27  2  0  0  0  0
 24 48  1  0  0  0  0
 25 27  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D04VGS
  SciTegic01161211252D

  3  2  0  0  0  0            999 V2000
    5.0667   -6.2417    0.0000 Se  0  0
    4.3667   -6.2417    0.0000 S   0  0
    5.7792   -6.2417    0.0000 S   0  0
  2  1  2  0
  3  1  2  0
M  END

$$$$
D04VIS
  -OEChem-10101305032D

 55 57  0     1  0  0  0  0  0999 V2000
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 11  1  1  1  0  0  0
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 23  4  1  1  0  0  0
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 13 33  1  0  0  0  0
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 14 35  1  0  0  0  0
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 14 37  1  0  0  0  0
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 16 20  2  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  2  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END

$$$$
D04VKS
  -OEChem-04152122252D

 57 59  0     0  0  0  0  0  0999 V2000
    1.0367    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2018   14.0284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6348    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5008    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6348    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3358   12.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9027    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4418   10.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8678   11.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   11.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    6.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0242    5.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8468    4.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2454    4.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7129    5.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5567    4.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582    4.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 52  1  0  0  0  0
  2 21  1  0  0  0  0
  2 57  1  0  0  0  0
  3 19  2  0  0  0  0
  3 20  1  0  0  0  0
  4 16  1  0  0  0  0
  4 55  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  8  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 11  1  0  0  0  0
  9 38  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 43  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 23  2  0  0  0  0
 17 21  2  0  0  0  0
 17 44  1  0  0  0  0
 18 21  1  0  0  0  0
 18 45  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 22 26  2  0  0  0  0
 22 46  1  0  0  0  0
 23 27  1  0  0  0  0
 23 47  1  0  0  0  0
 24 28  2  0  0  0  0
 24 48  1  0  0  0  0
 25 29  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  2  0  0  0  0
 27 51  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D04VMT
  -OEChem-10121501242D

 38 38  0     1  0  0  0  0  0999 V2000
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  5 23  1  0  0  0  0
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  7  8  1  0  0  0  0
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 10 11  2  0  0  0  0
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 11 24  1  0  0  0  0
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 13 26  1  0  0  0  0
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 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D04VPA
  -OEChem-10121501202D

 55 58  0     0  0  0  0  0  0999 V2000
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 20 23  2  0  0  0  0
 20 43  1  0  0  0  0
 21 26  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  2  0  0  0  0
 22 45  1  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END

$$$$
D04VXN
  -OEChem-04152122262D

 56 57  0     1  0  0  0  0  0999 V2000
    4.4487    1.1724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4229    1.0250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.1808    4.1724    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9190   -0.8318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6267    1.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9175   -1.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.1724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9128    3.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9211    0.1600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.4229    1.0291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4122   -4.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6691    1.2657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.6669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.8748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9128    0.1724    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9211    1.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4193   -0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0520   -1.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4193   -0.7029    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.9175   -1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9211    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9175   -1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4157   -2.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4157   -2.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140   -3.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9140   -3.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1311   -0.6491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2322    0.7025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702    0.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687   -0.4102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    2.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    2.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7431   -0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3609   -1.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1104   -0.1653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2286   -1.0357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7957   -2.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0357   -2.4404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6029   -3.8383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323   -0.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677    0.1586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0322   -4.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 34  1  0  0  0  0
  4 20  1  0  0  0  0
  4 24  1  0  0  0  0
 19  5  1  6  0  0  0
  5 28  1  0  0  0  0
  6 21  2  0  0  0  0
  7 25  2  0  0  0  0
  8 27  1  0  0  0  0
  9 27  2  0  0  0  0
 10 31  1  0  0  0  0
 11 31  2  0  0  0  0
 12 37  1  0  0  0  0
 12 56  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 14 25  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  2  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 39  1  6  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 29  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 48  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 32 35  1  0  0  0  0
 32 49  1  0  0  0  0
 33 36  2  0  0  0  0
 33 50  1  0  0  0  0
 35 37  2  0  0  0  0
 35 51  1  0  0  0  0
 36 37  1  0  0  0  0
 36 52  1  0  0  0  0
 38 53  1  0  0  0  0
 38 54  1  0  0  0  0
 38 55  1  0  0  0  0
M  CHG  4   2   1   3   1   8  -1  10  -1
M  END

$$$$
D04WFD
  -OEChem-10111523462D

 41 43  0     0  0  0  0  0  0999 V2000
    3.1509   -2.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840    1.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9416    3.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4199   -0.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    3.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280    3.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744    0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916    0.0155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8049   -0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -0.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2290   -2.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6275   -1.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    2.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1509   -3.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709   -3.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 20  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 10 27  1  0  0  0  0
 11 16  1  0  0  0  0
 11 26  1  0  0  0  0
 12 19  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  2  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END

$$$$
D04WJO
  -OEChem-10101305032D

 93 97  0     1  0  0  0  0  0999 V2000
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    2.6002    2.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0347    0.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4096    0.4482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9449   -0.9213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5043    3.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9102    2.0504    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6077    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9726    3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2451    1.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8687    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2127    0.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3721   -0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5124   -0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4044   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4818   -0.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324    4.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5459   -1.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4818   -1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2451   -2.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2462   -2.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9437   -3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2775    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2803   -1.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04WOM
  -OEChem-04152122302D

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325637  1  0  0  0  0
M  END

$$$$
D04WYX
  -OEChem-03101900402D

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 33 58  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END

$$$$
D04XDT
  -OEChem-04152122292D

 72 74  0     1  0  0  0  0  0999 V2000
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 27  6  1  6  0  0  0
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 30  8  1  6  0  0  0
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 31  9  1  1  0  0  0
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 41 43  2  0  0  0  0
 41 69  1  0  0  0  0
 42 43  1  0  0  0  0
M  END

$$$$
D04XEG
  -OEChem-10121500392D

 43 44  0     1  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D04XGT
          04150900562D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
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    1.3793   -1.0483    0.0000 N   0  0  0  0  0  0           0  0  0
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    0.5586   -1.1276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1345    1.4207    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9862   -0.4103    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4103    0.9000    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.5862    1.0103    0.0000 N   0  0  0  0  0  0           0  0  0
    0.1379    2.2448    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5931    0.1828    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.3207   -1.0517    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0276    0.1897    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0448   -1.4586    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7483   -0.2138    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7552   -1.0414    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  6  9  2  0     0  0
  6 10  1  0     0  0
  8 11  1  0     0  0
  8 12  2  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
 15 17  2  0     0  0
 16 18  1  0     0  0
 17 19  1  0     0  0
  5  7  1  0     0  0
 18 19  2  0     0  0
M  CHG  2   6   1  10  -1
M  END

$$$$
D04XPW
  -OEChem-10111523432D

 43 45  0     1  0  0  0  0  0999 V2000
    5.4641   -0.8094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7084   -2.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026   -2.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3010    2.4755    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.7788    0.5270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0376    1.4929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2437   -0.7161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6108   -0.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8696    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3094    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8010    3.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -1.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9164   -3.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3987   -0.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  1 15  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  1  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  6  0  0  0
  8 12  1  0  0  0  0
  8 14  1  1  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D04XVN
  -OEChem-10121500512D

 60 64  0     0  0  0  0  0  0999 V2000
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    7.3981   -1.2336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4804   -2.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 35  1  0  0  0  0
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 23 44  1  0  0  0  0
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 25 29  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
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 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 33  1  0  0  0  0
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 33 35  2  0  0  0  0
 33 56  1  0  0  0  0
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 34 57  1  0  0  0  0
 36 37  1  0  0  0  0
 37 58  1  0  0  0  0
 37 59  1  0  0  0  0
 37 60  1  0  0  0  0
M  END

$$$$
D04YHR
  -OEChem-04152110402D

 42 35  0     0  0  0  0  0  0999 V2000
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    6.9778    0.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4925    0.8544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8695   -0.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3547   -1.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0177    2.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126    1.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080   -0.4999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982   -0.3959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2803    0.1809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5829   -0.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8139   -1.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1028   -2.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  2  0  0  0  0
  2 27  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 20  2  0  0  0  0
  3 28  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 21  2  0  0  0  0
  4 29  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 22  2  0  0  0  0
  5 30  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 26  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  0  0  0  0
 27 35  1  0  0  0  0
 27 36  1  0  0  0  0
 28 37  1  0  0  0  0
 28 38  1  0  0  0  0
 29 39  1  0  0  0  0
 29 40  1  0  0  0  0
 30 41  1  0  0  0  0
 30 42  1  0  0  0  0
M  CHG  8   1   3   6   1   7   1   8   1   9   1  10   1  11  -1  12  -1
M  CHG  6  13  -1  14  -1  15  -1  16  -1  17  -1  18  -1
M  ISO  1   1 153
M  END

$$$$
D04YMH
  -OEChem-10121500002D

 33 34  0     0  0  0  0  0  0999 V2000
    6.0010    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 33  1  0  0  0  0
  4 17  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D04YPN
  -OEChem-04152108432D

 30 29  0     1  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 16  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
 11  5  1  6  0  0  0
  5 23  1  0  0  0  0
 12  6  1  6  0  0  0
  6 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D04YZL
  -OEChem-10101305032D

  2  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1  -1   2   1
M  END

$$$$
D04ZAH
  -OEChem-10101305022D

 63 66  0     1  0  0  0  0  0999 V2000
    9.2365   -1.5988    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715   -3.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8764   -4.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5236   -4.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442   -2.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881    0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3874    1.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9090    3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854   -2.9078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715   -1.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602    0.2220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7153    1.8960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2369    3.8267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854   -1.9078    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.2365   -3.2168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2771   -1.9037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2771   -2.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333   -1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333   -2.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 18  2  0  0  0  0
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  8 33  2  0  0  0  0
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 17 10  1  1  0  0  0
 10 22  1  0  0  0  0
 10 46  1  0  0  0  0
 23 11  1  1  0  0  0
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 13 29  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
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 14 37  1  6  0  0  0
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M  END

$$$$
D04ZBT
  -OEChem-04152108492D

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 56 60  1  0  0  0  0
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 56119  1  0  0  0  0
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 59122  1  0  0  0  0
 59123  1  0  0  0  0
 60125  1  0  0  0  0
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 62 65  1  0  0  0  0
 62 70  1  6  0  0  0
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 63 66  1  0  0  0  0
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 63130  1  0  0  0  0
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 64131  1  0  0  0  0
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 65132  1  0  0  0  0
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 68138  1  0  0  0  0
 69 71  1  0  0  0  0
 69139  1  0  0  0  0
 69140  1  0  0  0  0
 71141  1  0  0  0  0
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 72 80  1  0  0  0  0
 72143  1  0  0  0  0
 72144  1  0  0  0  0
 73 75  1  0  0  0  0
 75 78  1  0  0  0  0
 75146  1  0  0  0  0
 77 79  1  0  0  0  0
 78 81  1  0  0  0  0
 78149  1  0  0  0  0
 78150  1  0  0  0  0
 79151  1  0  0  0  0
 79152  1  0  0  0  0
 80 82  2  0  0  0  0
 81 84  1  0  0  0  0
 81154  1  0  0  0  0
 81155  1  0  0  0  0
 82 86  1  0  0  0  0
 82160  1  0  0  0  0
 83 85  1  0  0  0  0
 84161  1  0  0  0  0
 84162  1  0  0  0  0
 85 88  1  0  0  0  0
 85163  1  0  0  0  0
 86 87  2  0  0  0  0
 86164  1  0  0  0  0
 87165  1  0  0  0  0
 88 89  1  0  0  0  0
 88166  1  0  0  0  0
 88167  1  0  0  0  0
 89 90  1  0  0  0  0
 89168  1  0  0  0  0
 89169  1  0  0  0  0
 90172  1  0  0  0  0
 90173  1  0  0  0  0
M  END

$$$$
D04ZTY
  -OEChem-10101305022D

 39 39  0     1  0  0  0  0  0999 V2000
    3.7690    1.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    1.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.5465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.0465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.5465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7690    1.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.3459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8766    2.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1864    2.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0790    2.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -1.5214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -1.5214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    1.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0790    2.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -0.8565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
  1 29  1  0  0  0  0
 12  2  1  6  0  0  0
  2 30  1  0  0  0  0
 13  3  1  6  0  0  0
  3 31  1  0  0  0  0
 14  4  1  1  0  0  0
  4 32  1  0  0  0  0
  5 15  1  0  0  0  0
  5 37  1  0  0  0  0
  6 17  1  0  0  0  0
  6 39  1  0  0  0  0
  7 18  1  0  0  0  0
  7 38  1  0  0  0  0
 10  8  1  6  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D04ZXP
          12050900062D 1   1.00000     0.00000     0

 23 20  0     0  0            999 V2000
    7.1000   -4.7916    0.0000 C   0  0  3  0  0  0           0  0  0
    6.7500   -5.4041    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0485   -5.4073    0.0000 O   0  0  0  0  0  0           0  0  0
    6.0416   -4.1868    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7485   -4.1823    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0987   -4.7916    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5987   -5.2916    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5987   -4.2916    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7542   -3.4708    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7542   -6.1125    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0292   -4.7625    0.0000 C   0  0  3  0  0  0           0  0  0
    3.3792   -5.3750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0807   -5.3782    0.0000 O   0  5  0  0  0  0           0  0  0
    4.0876   -4.1577    0.0000 O   0  5  0  0  0  0           0  0  0
    3.3807   -4.1532    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0305   -4.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5305   -5.2625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5305   -4.2625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3750   -3.4417    0.0000 O   0  0  0  0  0  0           0  0  0
    3.3750   -6.0834    0.0000 O   0  0  0  0  0  0           0  0  0
    4.8875   -4.7917    0.0000 Pt  0  2  0  0  0  0           0  0  0
    4.8792   -5.9500    0.0000 N   0  0  0  0  0  0           0  0  0
    4.8792   -3.4167    0.0000 N   0  0  0  0  0  0           0  0  0
  8  6  1  0     0  0
  5  9  1  0     0  0
  2 10  1  0     0  0
  1  5  1  0     0  0
  2  3  2  0     0  0
  4  5  2  0     0  0
  6  7  1  0     0  0
 11 12  1  0     0  0
 11 15  1  0     0  0
 12 13  1  0     0  0
 14 15  1  0     0  0
 16 17  1  0     0  0
 17 11  1  0     0  0
 11 18  1  0     0  0
 18 16  1  0     0  0
 15 19  2  0     0  0
 12 20  2  0     0  0
  1  2  1  0     0  0
  7  1  1  0     0  0
  1  8  1  0     0  0
M  CHG  3  13  -1  14  -1  21   2
M  END

$$$$
D05AFC
  -OEChem-10101305032D

 98100  0     1  0  0  0  0  0999 V2000
    9.3654    1.6460    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146   -0.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1744    2.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5564    1.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9604   -1.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1577   -2.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8810   -2.6617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380    0.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2944   -5.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6890   -3.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4532   -0.7019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5966    4.1776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   -3.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449   -1.3789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9532    0.8370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6442   -0.1141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9532    0.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2622   -0.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7776    2.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7306   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3487   -1.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1844    3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7010   -0.4765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5965   -1.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8920    0.1113    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4351   -2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0033    5.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6020    4.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4055   -2.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6020   -1.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1254    1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9043   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680   -1.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0143    4.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4155    5.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4170   -3.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165   -0.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -4.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220   -0.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3990   -4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5900   -4.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6945   -3.3233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4403   -2.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8855   -2.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2494   -2.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9719   -3.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -2.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8674   -4.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2347    1.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    0.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5596    0.9659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    1.4536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5722   -0.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8286    0.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2636    2.8017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05AFR
  -OEChem-04152109152D

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M  END

$$$$
D05AFX
  -OEChem-04152108572D

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  2  5  1  0  0  0  0
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  4  6  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  2  0  0  0  0
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  7 23  1  0  0  0  0
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  8 25  1  0  0  0  0
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 10 13  1  0  0  0  0
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 11 14  1  0  0  0  0
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 13 32  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D05AHE
  -OEChem-10111523282D

 50 53  0     1  0  0  0  0  0999 V2000
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    4.6000    1.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1219   -1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3739    0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  5  1  1  0  0  0
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 10 30  1  0  0  0  0
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 18 36  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D05ARP
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    7.3704    0.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9702    2.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239    3.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -0.5341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 29  1  0  0  0  0
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  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 15  1  0  0  0  0
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 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D05ATI
  -OEChem-04152109132D

 43 41  0     0  0  0  0  0  0999 V2000
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   10.6603   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6804    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END

$$$$
D05AWP
  -OEChem-03101900402D

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 46 97  1  0  0  0  0
 46 98  1  0  0  0  0
 46 99  1  0  0  0  0
M  END

$$$$
D05BJD
  -OEChem-04152110112D

144145  0     0  0  0  0  0  0999 V2000
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   17.6007    5.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9888   -1.0957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 45  1  0  0  0  0
  2105  1  0  0  0  0
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 29 31  1  0  0  0  0
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 46101  1  0  0  0  0
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 49 50  1  0  0  0  0
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 50 52  1  0  0  0  0
 51 53  2  0  0  0  0
 51107  1  0  0  0  0
 52 54  2  0  0  0  0
 52108  1  0  0  0  0
 53 54  1  0  0  0  0
 55 57  1  0  0  0  0
 55109  1  0  0  0  0
 55110  1  0  0  0  0
 56 58  1  0  0  0  0
 56111  1  0  0  0  0
 56112  1  0  0  0  0
 57113  1  0  0  0  0
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 59 61  1  0  0  0  0
 59117  1  0  0  0  0
 59118  1  0  0  0  0
 60 62  1  0  0  0  0
 60119  1  0  0  0  0
 60120  1  0  0  0  0
 61121  1  0  0  0  0
 61122  1  0  0  0  0
 62123  1  0  0  0  0
 62124  1  0  0  0  0
 63 65  1  0  0  0  0
 63125  1  0  0  0  0
 63126  1  0  0  0  0
 64 66  1  0  0  0  0
 64127  1  0  0  0  0
 64128  1  0  0  0  0
 65129  1  0  0  0  0
 65130  1  0  0  0  0
 66131  1  0  0  0  0
 66132  1  0  0  0  0
 67133  1  0  0  0  0
 67134  1  0  0  0  0
 67135  1  0  0  0  0
 68136  1  0  0  0  0
 68137  1  0  0  0  0
 68138  1  0  0  0  0
 69 71  1  0  0  0  0
 69139  1  0  0  0  0
 69140  1  0  0  0  0
 69141  1  0  0  0  0
 70 72  1  0  0  0  0
 70142  1  0  0  0  0
 70143  1  0  0  0  0
 70144  1  0  0  0  0
M  CHG  4   1   3  12  -1  13  -1  16  -1
M  END

$$$$
D05BMG
  -OEChem-10111523062D

 23 23  0     1  0  0  0  0  0999 V2000
    3.7320    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    1.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2881    0.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END

$$$$
D05BQK
  -OEChem-10121501122D

 32 32  0     0  0  0  0  0  0999 V2000
    5.7320    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5000    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750    0.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6200    1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 32  1  0  0  0  0
M  END

$$$$
D05BTM
  -OEChem-10111523562D

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M  END

$$$$
D05CEU
  -OEChem-10101305032D

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M  END

$$$$
D05CHI
  -OEChem-04152109252D

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M  END

$$$$
D05CKR
  -OEChem-10121501202D

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 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D05CPV
  -OEChem-10121501372D

 83 85  0     0  0  0  0  0  0999 V2000
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 39 82  1  0  0  0  0
 39 83  1  0  0  0  0
M  END

$$$$
D05DVP
  -OEChem-10121500072D

 74 78  0     0  0  0  0  0  0999 V2000
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   10.6250   -3.2349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4894   -1.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 57  1  0  0  0  0
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 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
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 28 30  1  0  0  0  0
 29 32  2  0  0  0  0
 29 61  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 34 37  2  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 65  1  0  0  0  0
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 37 40  1  0  0  0  0
 37 68  1  0  0  0  0
 38 41  1  0  0  0  0
 38 69  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
 40 41  2  0  0  0  0
 40 73  1  0  0  0  0
 41 74  1  0  0  0  0
M  END

$$$$
D05EAM
  -OEChem-10101305032D

 49 50  0     0  0  0  0  0  0999 V2000
    9.4651    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210   -0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2565   -2.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5380   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    5.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 26  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 13 15  2  0  0  0  0
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 16 22  2  0  0  0  0
 16 38  1  0  0  0  0
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 18 20  2  0  0  0  0
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 18 25  1  0  0  0  0
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 19 24  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D05EJG
  -OEChem-10121501142D

 27 28  0     1  0  0  0  0  0999 V2000
    7.2566    1.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.9615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.0604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.8047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.2182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.3467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420    0.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 27  1  0  0  0  0
  2 13  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  8  4  1  1  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D05ELO
  -OEChem-10101305022D

784795  0     1  0  0  0  0  0999 V2000
   24.6329    5.7773    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.9419    4.8262    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   44.3005   -9.9130    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   44.9696   -9.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   50.5295   -9.4663    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   51.1986   -8.7232    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0094    5.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    2.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3274    8.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    5.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5842    8.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7921    9.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    2.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7432   10.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4863    9.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6668    7.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.3020    6.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   35.0835    4.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.5486    1.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.6243   -6.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.2645   -1.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3150  -11.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   37.5046   -5.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9228   -5.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9715   13.7440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5264   -5.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.9552   -7.1484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8691    1.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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390764  1  0  0  0  0
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395770  1  0  0  0  0
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401782  1  0  0  0  0
402403  1  0  0  0  0
402783  1  0  0  0  0
403784  1  0  0  0  0
M  END

$$$$
D05ELV
  -OEChem-04152109102D

  3  2  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END

$$$$
D05EMG
  -OEChem-04152109092D

 56 59  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -0.5263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245   -2.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2705   -1.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802    1.8463    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3580   -0.1022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6168    0.8637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9853   -0.6942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6433    0.2455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6297   -0.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485    0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4068   -0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847    2.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9666    2.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8983    3.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0028    4.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6316   -1.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9164    4.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5975   -1.7511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3046   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8563   -2.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1492   -3.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4080   -4.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0811   -3.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3740   -4.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -0.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    1.6848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973   -1.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    0.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2451   -1.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706   -1.3327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6563    0.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0294    1.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8217    0.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8347    3.4424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662    2.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2188    2.8195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003    2.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145    1.6867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0483    2.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    3.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.8437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843    4.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685    4.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4827    4.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6642    5.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1964   -1.9116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2606   -2.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7089   -0.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9696   -4.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6799   -4.1022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5344   -5.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  9  1  1  1  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4 20  1  0  0  0  0
  4 53  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  1  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  6  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 23 25  2  0  0  0  0
 23 52  1  0  0  0  0
 24 26  2  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  CHG  1   5   1
M  END

$$$$
D05EPM
  -OEChem-10121504072D

 27 28  0     1  0  0  0  0  0999 V2000
    5.1588    0.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109    2.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987    1.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -0.1307    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2077    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0797    3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511   -0.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172    1.7712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0005    2.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -1.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -1.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461    3.3829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275    3.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5133    2.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -2.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -2.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -3.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D05FGG
  -OEChem-04152109372D

 54 58  0     0  0  0  0  0  0999 V2000
    6.2619   -2.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459    2.2119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874    3.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7554    2.3783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5511    1.2977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -0.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -1.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136    0.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7619   -3.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    1.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5493   -0.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    0.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8902    2.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4427   -2.2466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    0.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3782   -1.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3847    1.4517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634   -1.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4666    0.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7619   -3.1205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3222    2.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 28  1  0  0  0  0
  2 26  1  0  0  0  0
  2 54  1  0  0  0  0
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  4  9  1  0  0  0  0
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  5 34  2  0  0  0  0
  6 10  1  0  0  0  0
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  8 30  1  0  0  0  0
  8 34  1  0  0  0  0
  8 53  1  0  0  0  0
  9 30  2  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 19  2  0  0  0  0
 15 23  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 18 22  2  0  0  0  0
 18 38  1  0  0  0  0
 19 24  1  0  0  0  0
 19 39  1  0  0  0  0
 20 25  1  0  0  0  0
 20 27  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 44  1  0  0  0  0
 28 33  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 32  1  0  0  0  0
 29 47  1  0  0  0  0
 31 32  2  0  0  0  0
 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
M  END

$$$$
D05FTJ
  -OEChem-10111523512D

 33 34  0     0  0  0  0  0  0999 V2000
    3.7320    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 33  1  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D05GJW
  -OEChem-10121500282D

 31 33  0     1  0  0  0  0  0999 V2000
    2.0000   -0.6734    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6183    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.0818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8083    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8066    0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5504    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926   -0.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3602    1.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9344   -0.2175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4233    0.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1695    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0025    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1843    1.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0302    3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
 11  3  1  1  0  0  0
  3 28  1  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
 10  5  1  6  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  2  0  0  0  0
  8 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  6  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
M  END

$$$$
D05GKD
  -OEChem-04152108412D

 44 45  0     1  0  0  0  0  0999 V2000
    4.9641    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.2990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9641    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6541    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010    1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2741    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4272    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  1 31  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  6  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END

$$$$
D05GPO
  -OEChem-10121501212D

 48 50  0     0  0  0  0  0  0999 V2000
    7.1620    3.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932   -0.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0973    1.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9299   -2.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05GRY
  -OEChem-04152110142D

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M  END

$$$$
D05HFN
          01280518002D 1   1.00000     0.00000     0

 51 48  0     0  0            999 V2000
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 10  6  1  0     0  0
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 29 23  1  0     0  0
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 49 42  1  0     0  0
 50 41  1  0     0  0
 51 40  1  0     0  0
M  CHG  1   1   1
M  ISO  1   1 100
M  END

$$$$
D05HFY
  -OEChem-04152108432D

 41 43  0     1  0  0  0  0  0999 V2000
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  1 14  1  0  0  0  0
  1 18  1  0  0  0  0
  2 12  1  0  0  0  0
  2 40  1  0  0  0  0
  3 14  2  0  0  0  0
  4 17  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  2  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 22  2  0  0  0  0
 19 32  1  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 21 25  1  0  0  0  0
 21 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  2  0  0  0  0
 25 39  1  0  0  0  0
 26 41  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END

$$$$
D05HPI
  -OEChem-04152109562D

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M  END

$$$$
D05HSC
  -OEChem-10111523432D

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M  CHG  1   7   1
M  END

$$$$
D05HWX
          01210517132D 1   1.00000     0.00000     0

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 34 24  1  0     0  0
 92 77  2  0     0  0
M  END

$$$$
D05HXX
  -OEChem-10101305032D

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  1 11  1  0  0  0  0
  1 26  1  0  0  0  0
  2 11  2  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END

$$$$
D05IHU
  -OEChem-04152108432D

 31 33  0     1  0  0  0  0  0999 V2000
    3.6750   -1.3357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -1.3357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2521    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3660   -2.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0678    0.4192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  1 23  1  0  0  0  0
  2  9  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D05IPF
  -OEChem-10101305032D

 68 71  0     1  0  0  0  0  0999 V2000
    2.1542    5.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9223    3.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4322    0.0660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5310    9.6767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3970    8.1767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7990    9.6767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    8.1767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4632    2.6819    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.3180    4.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6975    2.4099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3583    2.1181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8123    1.2271    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3574    2.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6635    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2142    0.9740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.1195    4.2432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697    3.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881    2.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987    2.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    2.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2941    0.8369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 21  4  1  6  0  0  0
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 10 32  1  0  0  0  0
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 15 35  1  0  0  0  0
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 16 37  1  0  0  0  0
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 17 40  1  0  0  0  0
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 22 48  1  1  0  0  0
 23 24  1  0  0  0  0
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 27 28  1  6  0  0  0
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 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END

$$$$
D05IWE
  -OEChem-04152111142D

166169  0     1  0  0  0  0  0999 V2000
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   11.3968    5.7953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05JDR
  -OEChem-04152108382D

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    5.4460   -0.4190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604   -1.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330   -1.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7403    0.2896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7403    1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4124   -0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1181   -0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846   -0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573   -1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8908   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4448    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6300   -3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9504   -0.5278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5013   -0.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2843   -1.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.4014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.2889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2948   -2.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8381   -1.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2733   -2.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1082    0.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1157   -0.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7288   -1.6747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5019   -3.9137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  2  0  0  0  0
  4 20  1  0  0  0  0
  4 35  1  0  0  0  0
  5 19  2  0  0  0  0
  6 20  2  0  0  0  0
  7 27  1  0  0  0  0
  7 41  1  0  0  0  0
  8 27  2  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 14 10  1  1  0  0  0
 10 19  1  0  0  0  0
 10 30  1  0  0  0  0
 11 22  1  0  0  0  0
 11 26  2  0  0  0  0
 12 26  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  6  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 25  2  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 27  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  END

$$$$
D05JFY
  -OEChem-10101305032D

 24 25  0     1  0  0  0  0  0999 V2000
    3.9563    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8536   -0.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473   -1.7566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1642    1.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601   -2.9155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4534    2.9155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8106    1.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.9645    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1427    1.9650    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9074   -0.4965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9074    0.5035    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9563   -0.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8536    0.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3685    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4372    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084   -1.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    1.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439   -0.9025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4661    0.9045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078    0.4184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078   -0.4113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980   -0.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980    0.4183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
 13  3  1  1  0  0  0
  4 10  1  0  0  0  0
 14  4  1  6  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  1  0  0  0
 12 14  1  0  0  0  0
 12 18  1  1  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  CHG  4   5  -1   7  -1   9   1  10   1
M  END

$$$$
D05JNI
  -OEChem-10101305032D

 88 91  0     1  0  0  0  0  0999 V2000
    8.0420   -0.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   -1.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3975    2.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9798    1.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8920   -0.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3756    2.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760   -3.8032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7741   -3.4372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    0.2948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2110    4.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101   -4.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5566    0.8743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0420   -1.4372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1760   -1.9372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1760   -2.9372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9081   -1.9372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9081   -2.9372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0420   -3.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9081    0.0628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9908    1.2652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0126    1.0573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4908    0.3992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3100   -1.4372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8101   -0.5711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8100   -0.5711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3920    2.2833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3100   -1.4372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8100   -2.3032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7987    3.1968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7933    3.3014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4853    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3811    2.4924    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9743    1.5788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3100   -3.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5621    0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790   -1.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760   -1.3172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6435   -3.9122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3881    0.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6099    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    0.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7129   -0.1796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -0.9002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7741   -4.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110   -3.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0509    3.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110   -1.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4099    3.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4420    0.9132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7455    1.9908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7221    1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3984    2.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7330    0.1738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26  1  1  1  0  0  0
 21  2  1  1  0  0  0
 30  2  1  1  0  0  0
  3 26  1  0  0  0  0
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 33  4  1  6  0  0  0
 23  5  1  1  0  0  0
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 32  9  1  6  0  0  0
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 32 56  1  0  0  0  0
 33 36  1  0  0  0  0
 33 57  1  0  0  0  0
 34 35  1  0  0  0  0
 34 60  1  0  0  0  0
 35 41  1  6  0  0  0
 35 61  1  0  0  0  0
 36 37  1  0  0  0  0
 36 64  1  0  0  0  0
 37 39  1  0  0  0  0
 37 66  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 39 40  1  0  0  0  0
 39 69  1  0  0  0  0
 40 42  1  6  0  0  0
 40 70  1  0  0  0  0
 41 72  1  0  0  0  0
 41 73  1  0  0  0  0
 42 76  1  0  0  0  0
 42 77  1  0  0  0  0
M  END

$$$$
D05KEZ
  Mrv0541 04051115152D          

  3  2  0  0  0  0            999 V2000
   -0.4764    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380   -0.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9525    0.1682    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END

$$$$
D05KON
  -OEChem-10121500372D

 31 31  0     0  0  0  0  0  0999 V2000
    3.7320    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
  4 17  2  0  0  0  0
  5 16  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 17  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D05KZK
  SciTegic10041313222D

 27 27  0  0  0  0            999 V2000
    4.6471    4.6471    0.0000 C   0  0
    5.9462    5.3971    0.0000 C   0  0
   11.1423    3.8971    0.0000 C   0  0
    9.8433    4.6471    0.0000 C   0  0
   13.7404    3.8971    0.0000 N   0  0
    5.9462    6.8971    0.0000 O   0  0
    3.3481    3.8971    0.0000 C   0  0
    8.5442    8.3971    0.0000 Cl  0  0
    5.3971    3.3481    0.0000 C   0  0
    3.8971    5.9462    0.0000 O   0  0
   12.4413    3.1471    0.0000 C   0  0
    7.2452    4.6471    0.0000 O   0  0
    8.5442    5.3971    0.0000 C   0  0
   13.7404    5.3971    0.0000 C   0  0
   15.0394    3.1471    0.0000 C   0  0
    3.3481    2.3971    0.0000 C   0  0
    2.0490    4.6471    0.0000 C   0  0
    4.6471    2.0490    0.0000 C   0  0
    6.8971    3.3481    0.0000 C   0  0
   12.4413    6.1471    0.0000 C   0  0
   16.3385    3.8971    0.0000 C   0  0
    0.7500    3.8971    0.0000 C   0  0
    2.0490    1.6471    0.0000 C   0  0
    7.6471    2.0490    0.0000 C   0  0
    5.3971    0.7500    0.0000 C   0  0
    0.7500    2.3971    0.0000 C   0  0
    6.8971    0.7500    0.0000 C   0  0
  2  1  1  0
  3  4  3  0
  4 13  1  0
  5 11  1  0
  6  2  2  0
  7  1  1  0
  9  1  1  0
 10  1  1  0
 11  3  1  0
 12  2  1  0
 13 12  1  0
 14  5  1  0
 15  5  1  0
 16  7  2  0
 17  7  1  0
 18  9  1  0
 19  9  1  0
 20 14  1  0
 21 15  1  0
 22 17  2  0
 23 16  1  0
 24 19  1  0
 25 18  1  0
 26 23  2  0
 27 25  1  0
 24 27  1  0
 22 26  1  0
M  ENDM  END

$$$$
D05LBU
  -OEChem-10121501262D

 31 33  0     1  0  0  0  0  0999 V2000
    2.8660    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.3047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350    0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D05LEO
  -OEChem-10101305022D

 12 12  0     0  0  0  0  0  0999 V2000
    2.0000    1.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
M  END

$$$$
D05LKP
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    3.0000    0.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 14  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D05LQX
  SciTegic07231310332D

 41 42  0  0  0  0            999 V2000
   -0.5879   -0.6051    0.0000 C   0  0
   -1.3725   -0.3502    0.0000 C   0  0
    0.0252   -0.0531    0.0000 C   0  0
    1.7660   -1.3699    0.0000 C   0  0  2  0  0  0
    1.5944   -0.5630    0.0000 H   0  0
    1.9375   -2.1769    0.0000 C   0  0
    2.7221   -2.4318    0.0000 C   0  0
    2.8936   -3.2388    0.0000 C   0  0  1  0  0  0
    2.3416   -3.8519    0.0000 C   0  0  1  0  0  0
    1.8923   -4.5438    0.0000 H   0  0
    2.7541   -4.5664    0.0000 C   0  0
    3.5611   -4.3949    0.0000 C   0  0  1  0  0  0
    3.3475   -5.1917    0.0000 H   0  0
    3.6473   -3.5744    0.0000 C   0  0  2  0  0  0
    4.4151   -4.2292    0.0000 H   0  0
    0.9813   -1.1150    0.0000 C   0  0
    0.8098   -0.3080    0.0000 C   0  0
   -0.1463    0.7539    0.0000 C   0  0
   -0.9310    1.0088    0.0000 C   0  0
   -1.5441    0.4568    0.0000 C   0  0
    5.0763   -3.5744    0.0000 C   0  0
    5.7907   -3.1619    0.0000 C   0  0
    4.3618   -3.1619    0.0000 C   0  0
    5.7907   -2.3369    0.0000 C   0  0
    6.5052   -1.9244    0.0000 C   0  0
    7.2197   -2.3369    0.0000 C   0  0
    7.9341   -1.9244    0.0000 C   0  0
    7.9341   -1.0994    0.0000 O   0  0
    9.3631   -1.9244    0.0000 C   0  0
   10.0775   -2.3369    0.0000 C   0  0
   10.7920   -1.9244    0.0000 C   0  0
   11.5065   -2.3369    0.0000 C   0  0
   12.2210   -1.9244    0.0000 O   0  0
    8.6486   -2.3369    0.0000 O   0  0
   13.6499   -1.9244    0.0000 O   0  0
   12.9354   -3.1619    0.0000 O   0  0
   12.9354   -2.3369    0.0000 N   0  0
    1.5211   -3.7657    0.0000 O   0  0
    2.3791   -0.8179    0.0000 O   0  0
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  1  2  1  0
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 16 17  1  0
 18  3  1  0
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 23 21  1  0
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 25 26  1  0
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 27 34  1  0
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 31 32  1  0
 32 33  1  0
 33 37  1  0
 37 36  2  0
 37 35  2  0
  8 40  1  1
 12 41  1  1
 14 23  1  1
M  END

$$$$
D05LYX
  -OEChem-10111523472D

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 33 61  1  0  0  0  0
M  END

$$$$
D05MBZ
  -OEChem-10121500302D

 56 57  0     1  0  0  0  0  0999 V2000
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 28 56  1  0  0  0  0
M  END

$$$$
D05MFA
  -OEChem-04152108472D

 45 45  0     1  0  0  0  0  0999 V2000
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 13  6  1  6  0  0  0
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 17 35  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D05MFG
  -OEChem-10121500532D

 61 63  0     1  0  0  0  0  0999 V2000
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 18  9  1  6  0  0  0
 19  9  1  1  0  0  0
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 25 28  1  0  0  0  0
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 27 31  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END

$$$$
D05MIL
  SciTegic11301210262D

 35 35  0  0  0  0            999 V2000
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    0.4792    0.5208    0.0000 C   0  0
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   -1.8833   -0.5542    0.0000 C   0  0
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   -0.1500   -2.5792    0.0000 O   0  0
    0.4792   -2.0417    0.0000 I   0  0
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   -0.9625    0.5208    0.0000 I   0  0
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  2  4  2  0
  3  5  1  0
  4  1  1  0
  5  1  2  0
  6  3  2  0
  7  1  1  0
  8  2  1  0
  9  3  1  0
 10  7  1  0
 11  8  1  0
 12  9  1  0
 13  7  1  0
 14  8  2  0
 15  9  2  0
 16 10  2  0
 17  5  1  0
 18  6  1  0
 19  4  1  0
 20 13  1  0
 21 11  1  0
 22 12  1  0
 23 21  1  0
 24 22  1  0
 25 20  1  0
 26 23  1  0
 27 24  1  0
 28 10  1  0
 29 33  1  0
 30 32  1  0
 31 34  1  0
 32 24  1  0
 33 23  1  0
 34 20  1  0
 35 31  1  0
  2  6  1  0
M  END

$$$$
D05MKA
  -OEChem-04152109572D

689696  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05MNW
  -OEChem-04152110132D

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 98180  1  0  0  0  0
 98181  1  0  0  0  0
M  END

$$$$
D05MPX
  SciTegic11301210262D

 26 28  0  0  1  0            999 V2000
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  2  1  1  0
  3  1  1  0
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 10  3  1  0
 11  9  1  0
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 16  6  1  0
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 23 17  1  0
 24 23  2  0
  2 25  1  1
  9 26  1  1
  5  9  1  0
  7 11  1  0
 22 24  1  0
M  END

$$$$
D05MQK
  -OEChem-10121501242D

 48 53  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05NDR
  -OEChem-10101305022D

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 73159  1  0  0  0  0
M  END

$$$$
D05NOS
  -OEChem-10121500232D

 43 45  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D05NUH
  -OEChem-04152111242D

 61 65  0     0  0  0  0  0  0999 V2000
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  7 22  1  0  0  0  0
  8 21  1  0  0  0  0
  8 24  2  0  0  0  0
  9 29  1  0  0  0  0
  9 33  1  0  0  0  0
  9 58  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 18  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  2  0  0  0  0
 17 48  1  0  0  0  0
 18 20  2  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 26 30  2  0  0  0  0
 27 53  1  0  0  0  0
 28 29  2  0  0  0  0
 28 54  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  2  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
M  END

$$$$
D05OEU
  -OEChem-04152110542D

 17 15  0     1  0  0  0  0  0999 V2000
    2.4520    0.0000    0.0000 Tc  2  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1350    4.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4030    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
M  ISO  1   1  99
M  END

$$$$
D05OFX
  -OEChem-10121501382D

 36 36  0     1  0  0  0  0  0999 V2000
    6.3301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  2  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  6  5  1  6  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D05OIS
  -OEChem-10101305022D

 16 16  0     0  0  0  0  0  0999 V2000
    3.7320    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D05OQJ
  -OEChem-10121501202D

 30 30  0     1  0  0  0  0  0999 V2000
    2.0000    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    1.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    1.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    0.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    1.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D05PHH
  -OEChem-10121501462D

 46 46  0     0  0  0  0  0  0999 V2000
    6.8671    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -2.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -3.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -4.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15 34  1  0  0  0  0
 16 20  2  0  0  0  0
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 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
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 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D05PIZ
  -OEChem-10121501182D

 57 58  0     1  0  0  0  0  0999 V2000
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 18 48  1  0  0  0  0
 19 24  2  0  0  0  0
 19 50  1  0  0  0  0
 20 25  2  0  0  0  0
 20 49  1  0  0  0  0
 21 24  1  0  0  0  0
 21 52  1  0  0  0  0
 22 25  1  0  0  0  0
 22 51  1  0  0  0  0
 23 26  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
M  END

$$$$
D05PLH
  -OEChem-10121501422D

 42 41  0     1  0  0  0  0  0999 V2000
    7.7331   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5010   -1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 23  1  0  0  0  0
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 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
D05QDC
  -OEChem-10121501422D

 50 50  0     0  0  0  0  0  0999 V2000
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    4.2881   -6.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9081   -5.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    4.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 24  1  0  0  0  0
  2 50  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  2  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  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
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
M  END

$$$$
D05QHL
  -OEChem-10101305022D

 64 60  0     0  0  0  0  0  0999 V2000
   10.0021    4.1200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    2.1200    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.4662    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    7.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5021    4.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5021    3.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    2.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8059    1.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4045   11.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4045   13.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4045   16.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1982    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8322    8.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8322    6.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5082    7.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7352    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8882    8.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3691    8.7960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5222    9.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2953    8.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2953    6.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1422    6.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3691    7.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1371    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    6.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2734    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9414   11.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8676   11.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9414   13.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8676   13.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9414   16.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8676   16.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    8.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4 20  2  0  0  0  0
  7 31  2  0  0  0  0
  8 35  1  0  0  0  0
  9 35  2  0  0  0  0
 10 63  1  0  0  0  0
 10 64  1  0  0  0  0
 11 57  1  0  0  0  0
 11 58  1  0  0  0  0
 12 59  1  0  0  0  0
 12 60  1  0  0  0  0
 13 61  1  0  0  0  0
 13 62  1  0  0  0  0
 14 23  1  0  0  0  0
 14 45  1  0  0  0  0
 15 31  1  0  0  0  0
 15 34  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 50  1  0  0  0  0
 30 33  1  0  0  0  0
 30 51  1  0  0  0  0
 32 33  2  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 34 35  1  0  0  0  0
 34 55  1  0  0  0  0
 34 56  1  0  0  0  0
M  CHG  2   2   1   8  -1
M  END

$$$$
D05QIM
          08031100062D 1   1.00000     0.00000     0

 12 13  0     1  0            999 V2000
    4.3500   -4.6042    0.0000 N   0  0  3  0  0  0           0  0  0
    3.7750   -5.0125    0.0000 C   0  0  2  0  0  0           0  0  0
    3.1625   -4.6625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5500   -3.5917    0.0000 N   0  0  0  0  0  0           0  0  0
    3.1625   -3.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9167   -5.0125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3500   -3.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9917   -5.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -5.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5500   -5.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9292   -3.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9292   -4.6625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  2  3  1  1     0  0
  4  5  1  0     0  0
  5  3  2  0     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
  9  6  1  0     0  0
 10  3  1  0     0  0
 11 12  1  0     0  0
 12 10  2  0     0  0
  8  9  1  0     0  0
  4 11  2  0     0  0
M  END

$$$$
D05QNO
  -OEChem-10101305022D

 56 55  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2023   -1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5683    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9483    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 56  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
M  CHG  2   1   1   2   1
M  END

$$$$
D05QPW
          03311000092D 1   1.00000     0.00000     0

 17 16  0     0  0            999 V2000
   -1.7793    0.1793    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0655   -0.2310    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4966   -0.2310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7793    1.0034    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0655   -1.0655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3483    0.1897    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4966   -1.0586    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0655    1.4207    0.0000 O   0  5  0  0  0  0           0  0  0
   -2.4931    1.4207    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7828   -1.4759    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7276    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4586    0.3862    0.0000 N   0  3  3  0  0  0           0  0  0
    1.6966   -0.8241    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8448   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0690    1.1207    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1931    0.7759    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3897   -1.2621    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  4  9  2  0     0  0
  5 10  2  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 12 15  1  0     0  0
 12 16  1  0     0  0
 13 17  1  0     0  0
  7 10  1  0     0  0
M  CHG  2   8  -1  12   1
M  END

$$$$
D05RHI
  -OEChem-10121501582D

 31 32  0     1  0  0  0  0  0999 V2000
    6.3301    2.8725    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.5064    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.2385    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -2.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -0.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -2.7188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -2.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -3.5714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277   -2.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1788   -3.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
 12  5  1  1  0  0  0
  5 29  1  0  0  0  0
  6 15  1  0  0  0  0
  6 31  1  0  0  0  0
  7 17  2  0  0  0  0
  8 19  2  0  0  0  0
 11  9  1  6  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  6  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END

$$$$
D05RIY
  MDL     03130713462D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
    4.6917   -3.0167    0.0000 C   0  0  3  0  0  0           0  0  0
    5.3042   -2.6667    0.0000 C   0  0  3  0  0  0           0  0  0
    5.9167   -3.0167    0.0000 C   0  0  3  0  0  0           0  0  0
    4.0792   -2.6667    0.0000 C   0  0  3  0  0  0           0  0  0
    5.0417   -3.6292    0.0000 F   0  0  0  0  0  0           0  0  0
    5.6667   -2.0417    0.0000 F   0  0  0  0  0  0           0  0  0
    4.3417   -3.6292    0.0000 F   0  0  0  0  0  0           0  0  0
    4.9542   -2.0500    0.0000 F   0  0  0  0  0  0           0  0  0
    5.5667   -3.6292    0.0000 F   0  0  0  0  0  0           0  0  0
    3.7292   -2.0500    0.0000 F   0  0  0  0  0  0           0  0  0
    6.2667   -3.6292    0.0000 F   0  0  0  0  0  0           0  0  0
    4.4417   -2.0417    0.0000 F   0  0  0  0  0  0           0  0  0
    3.4667   -3.0250    0.0000 F   0  0  0  0  0  0           0  0  0
    6.5417   -2.6667    0.0000 F   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5  1  1  0     0  0
  6  2  1  0     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
  9  3  1  0     0  0
 10  4  1  0     0  0
 11  3  1  0     0  0
 12  4  1  0     0  0
 13  4  1  0     0  0
 14  3  1  0     0  0
M  END

$$$$
D05ROI
  -OEChem-10101305022D

 55 58  0     0  0  0  0  0  0999 V2000
    5.9641    3.4604    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -2.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.5094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4321    1.2222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.5823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5910   -0.0650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7885    5.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1853    4.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5673    3.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    2.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9184    2.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -5.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9317    3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -5.6984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 28  1  0  0  0  0
  3 21  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  8 14  2  0  0  0  0
  8 18  1  0  0  0  0
  9 23  1  0  0  0  0
  9 46  1  0  0  0  0
 10 22  2  0  0  0  0
 10 32  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  2  0  0  0  0
 12 32  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 31  2  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  2  0  0  0  0
 31 50  1  0  0  0  0
 33 35  2  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
 35 53  1  0  0  0  0
M  END

$$$$
D05RXI
  -OEChem-10101305032D

 75 78  0     1  0  0  0  0  0999 V2000
    8.0319    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8722    1.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879    0.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5079    1.4451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.6062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.3938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.8938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.3938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.9109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -0.9007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6610    0.6062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05SBO
  -OEChem-10191523082D

 69 73  0     0  0  0  0  0  0999 V2000
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 36 37  2  0  0  0  0
 37 69  1  0  0  0  0
M  END

$$$$
D05SGO
  -OEChem-10191523052D

378381  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05SHK
  -OEChem-10121500382D

 49 50  0     1  0  0  0  0  0999 V2000
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 22 48  1  0  0  0  0
M  END

$$$$
D05SJW
  -OEChem-10101305032D

 99 96  0     0  0  0  0  0  0999 V2000
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   12.6613    9.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5335   10.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3967    8.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938    8.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5369   11.2456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8466   10.8471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6772   11.1864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4512   12.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8059   11.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790   12.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   11.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    8.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    7.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9713    9.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1982   10.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3513   10.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   10.0150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0492   10.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3923    7.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2392    7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4662    8.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 22  1  0  0  0  0
  4 34  1  0  0  0  0
  5 23  1  0  0  0  0
  5 35  1  0  0  0  0
  6 24  1  0  0  0  0
  6 36  1  0  0  0  0
  7 10  1  0  0  0  0
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 13 25  1  0  0  0  0
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 13 51  1  0  0  0  0
 14 26  1  0  0  0  0
 14 47  1  0  0  0  0
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 15 27  1  0  0  0  0
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 15 50  1  0  0  0  0
 16 30  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 29  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 28  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 33  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 32  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 31  1  0  0  0  0
 21 58  1  0  0  0  0
 21 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 68  1  0  0  0  0
 24 69  1  0  0  0  0
 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 25 78  1  0  0  0  0
 26 73  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 85  1  0  0  0  0
 28 86  1  0  0  0  0
 28 87  1  0  0  0  0
 29 82  1  0  0  0  0
 29 83  1  0  0  0  0
 29 84  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 31 94  1  0  0  0  0
 31 95  1  0  0  0  0
 31 96  1  0  0  0  0
 32 91  1  0  0  0  0
 32 92  1  0  0  0  0
 32 93  1  0  0  0  0
 33 88  1  0  0  0  0
 33 89  1  0  0  0  0
 33 90  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 97  1  0  0  0  0
 38 39  1  0  0  0  0
 38 98  1  0  0  0  0
 39 99  1  0  0  0  0
M  CHG  6   1  -1   2  -1   3  -1   7   1   8   1   9   1
M  END

$$$$
D05TIB
  -OEChem-04152108412D

 59 63  0     1  0  0  0  0  0999 V2000
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   11.7617    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8957    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4774   -1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0308   -0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5122   -1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0934    0.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7351   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4768   -1.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8188   -0.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0620   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0961   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1302   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8373    0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8714   -1.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8714    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231   -0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5444    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9055   -2.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4572   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2856    1.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984   -1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3197    2.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0039   -1.5523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3051    1.0557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664    1.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3046    0.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3140    1.7978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1589    2.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5206   -2.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8668   -1.8765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6322    0.2265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4615    0.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8968   -2.0122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0713   -1.9617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    0.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125    0.6567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202   -0.4358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0783   -1.9538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3905   -2.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1473   -0.3383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3760   -1.1359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9165   -2.1114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3098   -2.3703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4330    0.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5836    0.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    0.8055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0188   -0.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1592    2.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  2  0  0  0  0
  3 17  1  0  0  0  0
  3 49  1  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  1  0  0  0  0
  5 11  1  0  0  0  0
  5 30  1  1  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 31  1  6  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 14  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 15  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 50  1  0  0  0  0
 21 25  1  0  0  0  0
 21 51  1  0  0  0  0
 22 26  2  0  0  0  0
 22 52  1  0  0  0  0
 23 27  2  0  0  0  0
 23 53  1  0  0  0  0
 24 28  2  0  0  0  0
 24 54  1  0  0  0  0
 25 29  2  0  0  0  0
 25 55  1  0  0  0  0
 26 28  1  0  0  0  0
 26 56  1  0  0  0  0
 27 29  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D05TMQ
  -OEChem-10101305032D

 29 29  0     0  0  0  0  0  0999 V2000
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    4.8660    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END

$$$$
D05UBX
  -OEChem-10101305022D

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 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END

$$$$
D05UFG
  -OEChem-10191522562D

 59 62  0     1  0  0  0  0  0999 V2000
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 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
M  END

$$$$
D05UVD
  -OEChem-10121500402D

 45 46  0     1  0  0  0  0  0999 V2000
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    3.6750   -0.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1434   -0.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
 11  4  1  1  0  0  0
  4 45  1  0  0  0  0
  5  9  1  0  0  0  0
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  5 22  1  0  0  0  0
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  9 14  1  0  0  0  0
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  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 19  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 30  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
M  END

$$$$
D05UWI
  -OEChem-10121500002D

 44 46  0     0  0  0  0  0  0999 V2000
    5.6622    1.2694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622   -4.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6622    1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3942    2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1622   -4.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622   -2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8532   -3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9021   -3.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1590   -3.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3942    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 15  2  0  0  0  0
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 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
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 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
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 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
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 19 23  1  0  0  0  0
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 20 24  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D05UYW
  -OEChem-10121500582D

 35 36  0     1  0  0  0  0  0999 V2000
    3.7320    1.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.6217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1279    0.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -0.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
 11  8  1  1  0  0  0
  8 18  1  0  0  0  0
  8 27  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  6  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D05VGL
          06180800062D 1   1.00000     0.00000     0

 11 12  0     0  0            999 V2000
    3.0152   -3.7208    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0141   -4.4315    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.9171   -3.4971    0.0000 B   0  0  0  0  0  0           0  0  0
    5.1370   -2.8238    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4004   -4.7853    0.0000 F   0  0  0  0  0  0           0  0  0
  5  6  1  0     0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  6  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  9 10  1  0     0  0
  5  4  2  0     0  0
  2 11  1  0     0  0
  4  1  1  0     0  0
M  END

$$$$
D05VIL
  -OEChem-10111523302D

 50 55  0     1  0  0  0  0  0999 V2000
    2.2314   -0.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561   -2.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3370   -0.7855    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -1.2611    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2392   -0.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   -2.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5133    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   -2.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8418   -1.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8164   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7724   -2.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0496   -1.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760    0.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6795    0.1787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7254   -2.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239   -2.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9476    0.0579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490    0.7481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840    0.0957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4989    0.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3215   -2.3303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0834   -2.5642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -3.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0882   -3.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3916   -2.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0503    1.9022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    2.6877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  6  2  1  1  0  0  0
  2 41  1  0  0  0  0
  3 23  1  0  0  0  0
  3 50  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  6  0  0  0
  8 17  1  0  0  0  0
  8 27  1  1  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  2  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 24  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 25  2  0  0  0  0
 22 46  1  0  0  0  0
 23 25  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D05VIX
  -OEChem-10121500102D

 40 40  0     0  0  0  0  0  0999 V2000
    3.7320   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8441    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -4.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 31  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END

$$$$
D05VLS
  -OEChem-10111523592D

 36 38  0     0  0  0  0  0  0999 V2000
    3.0000   -2.6739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878    3.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    1.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    1.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601    1.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5032    2.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    0.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543    1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9190    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6622    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246    2.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810    1.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3743    2.8804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072    0.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -3.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -3.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9150    2.3798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480   -0.2888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2518    0.7952    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 10  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D05VQI
  SciTegic03291108542D

 20 21  0  0  1  0            999 V2000
    1.5892    1.7921    0.0000 O   0  0
    0.8748    0.5546    0.0000 O   0  0
    3.0182    0.9671    0.0000 O   0  0
    0.1603    3.4421    0.0000 C   0  0
    0.8748    2.2046    0.0000 C   0  0
    0.8748    3.0296    0.0000 C   0  0
    1.5892    0.9671    0.0000 C   0  0
    2.3037    0.5546    0.0000 C   0  0
   -0.5542    2.2046    0.0000 C   0  0
   -0.5542    3.0296    0.0000 C   0  0
    0.1603    1.7921    0.0000 C   0  0
    2.3037   -0.2704    0.0000 C   0  0
    3.0182   -0.6829    0.0000 C   0  0
    1.5892   -0.6829    0.0000 C   0  0
    0.5476    4.1705    0.0000 C   0  0
   -0.2270    4.1705    0.0000 C   0  0
   -1.2686    1.7921    0.0000 C   0  0
    3.0182   -1.5079    0.0000 C   0  0
    1.5892   -1.5079    0.0000 C   0  0
    2.3037   -1.9204    0.0000 C   0  0
  1  5  1  0
  1  7  1  0
  2  7  2  0
  3  8  1  0
  4  6  1  0
  4 10  1  0
  4 15  1  0
  4 16  1  0
  5  6  1  0
  5 11  1  0
  7  8  1  0
  8 12  1  0
  9 10  1  0
  9 11  1  0
  9 17  1  0
 12 13  2  0
 12 14  1  0
 13 18  1  0
 14 19  2  0
 18 20  2  0
 19 20  1  0
M  END

$$$$
D05WTS
          07291000362D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
    1.9040   -0.6204    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9040   -1.4445    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6178   -0.2066    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1936   -0.2066    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6178   -1.8583    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1936   -1.8583    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3316   -0.6204    0.0000 N   0  0  0  0  0  0           0  0  0
    2.6178    0.6176    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4730   -0.6204    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3316   -1.4445    0.0000 N   0  0  0  0  0  0           0  0  0
    2.6178   -2.6859    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4730   -1.4445    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1936   -2.6824    0.0000 N   0  5  0  0  0  0           0  0  0
    5.0867   -1.1411    0.0000 Na  0  3  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  2  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
  5 11  2  0     0  0
  6 12  2  0     0  0
  6 13  1  0     0  0
  7 10  1  0     0  0
  9 12  1  0     0  0
M  CHG  2  13  -1  14   1
M  END

$$$$
D05XGO
  -OEChem-04152122292D

 60 62  0     0  0  0  0  0  0999 V2000
    2.0000   -4.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  1  0  0  0  0
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 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 52  1  0  0  0  0
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 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
M  END

$$$$
D05XQE
  -OEChem-10101305032D

 56 55  0     0  0  0  0  0  0999 V2000
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 10 32  1  0  0  0  0
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 18 20  1  0  0  0  0
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 19 21  1  0  0  0  0
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 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
M  END

$$$$
D05YBZ
  SciTegic10271116002D

 20 21  0  0  0  0            999 V2000
    7.3208   -5.1375    0.0000 S   0  3
    7.3208   -6.7875    0.0000 N   0  0
    8.0375   -5.5500    0.0000 C   0  0
    6.6083   -5.5500    0.0000 C   0  0
    8.0375   -6.3750    0.0000 C   0  0
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   10.1792   -5.1375    0.0000 N   0  0
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    4.4625   -4.3125    0.0000 C   0  0
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  2  8  1  0
  3  1  2  0
  4  1  1  0
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  6  3  1  0
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  8  4  1  0
  9  7  1  0
 10  6  2  0
 11  5  1  0
 12 10  1  0
 13  9  1  0
 14  9  2  0
 15  8  2  0
 16 10  1  0
 17 12  1  0
 18 13  1  0
 19 13  1  0
  5  2  2  0
 14 15  1  0
 12 11  2  0
M  CHG  2   1   1  20  -1
M  ENDM  END

$$$$
D05ZGQ
  -OEChem-04152122272D

 50 50  0     1  0  0  0  0  0999 V2000
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 24 47  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
M  END

$$$$
D05ZIK
  -OEChem-10121501202D

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 20 39  1  0  0  0  0
M  END

$$$$
D05ZJG
  -OEChem-04152109132D

 44 47  0     1  0  0  0  0  0999 V2000
    2.0000   -1.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  4  1  6  0  0  0
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 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D05ZPL
  -OEChem-10101305032D

102101  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D05ZSB
  -OEChem-02061503582D

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325328  1  0  0  0  0
325658  1  0  0  0  0
325659  1  0  0  0  0
326660  1  0  0  0  0
M  END

$$$$
D05ZTH
  -OEChem-04152110372D

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 20 23  1  0  0  0  0
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 21 24  1  0  0  0  0
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 22 54  1  0  0  0  0
 24 25  3  0  0  0  0
 25 26  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  END

$$$$
D05ZTJ
  -OEChem-04152122252D

 58 58  0     0  0  0  0  0  0999 V2000
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 26 28  2  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D05ZYM
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
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    5.1350    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  8  2  1  6  0  0  0
  2 24  1  0  0  0  0
 10  3  1  1  0  0  0
  3 25  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  1  0  0  0  0
  5 27  1  0  0  0  0
  6 14  2  0  0  0  0
  9  7  1  1  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  6  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END

$$$$
D06AAP
  -OEChem-04152110102D

 32 32  0     0  0  0  0  0  0999 V2000
    3.7320    0.9050    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0950    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9050    0.0000 I   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
    2.0000   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5950    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
    4.5981    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1541    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 32  1  0  0  0  0
  5 16  2  0  0  0  0
  6 13  1  0  0  0  0
  6 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D06ABF
  -OEChem-10121501182D

 50 53  0     0  0  0  0  0  0999 V2000
    2.0000    3.2317    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   -2.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4909    1.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7034    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374    1.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9364    2.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7139    3.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
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  2 26  1  0  0  0  0
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 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 32  1  0  0  0  0
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 14 20  1  0  0  0  0
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 15 36  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 21  1  0  0  0  0
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 18 40  1  0  0  0  0
 20 23  2  0  0  0  0
 20 41  1  0  0  0  0
 21 24  2  0  0  0  0
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 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D06ACW
  -OEChem-10191522542D

 37 39  0     1  0  0  0  0  0999 V2000
    8.4752    2.5896    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405    0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    3.0874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    2.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  3  1  6  0  0  0
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 15  4  1  6  0  0  0
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 16  9  1  1  0  0  0
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 10 20  2  0  0  0  0
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 20 32  1  0  0  0  0
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 23 33  1  0  0  0  0
M  END

$$$$
D06AEB
          11280715112D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
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  2  1  1  0     0  0
  3  1  2  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
  6  5  2  0     0  0
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  8  2  1  0     0  0
  9  4  1  0     0  0
 10  5  1  0     0  0
 11  3  1  0     0  0
 12  7  2  0     0  0
 13 12  1  0     0  0
 13 11  2  0     0  0
  4  6  1  0     0  0
M  END

$$$$
D06AEO
  -OEChem-04152108442D

 53 57  0     1  0  0  0  0  0999 V2000
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 15  2  1  6  0  0  0
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 21 48  1  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
M  END

$$$$
D06ALD
  -OEChem-10121500272D

 58 61  0     1  0  0  0  0  0999 V2000
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 10  4  1  1  0  0  0
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 11  5  1  1  0  0  0
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 19  8  1  1  0  0  0
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 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D06AWE
  -OEChem-10111523342D

 75 81  0     1  0  0  0  0  0999 V2000
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 34 72  1  0  0  0  0
 34 73  1  0  0  0  0
 34 74  1  0  0  0  0
M  END

$$$$
D06BCB
  -OEChem-10121500352D

 52 56  0     1  0  0  0  0  0999 V2000
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 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END

$$$$
D06BEP
  -OEChem-10121500092D

 35 37  0     1  0  0  0  0  0999 V2000
    7.6574    0.3068    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D06BLQ
  -OEChem-10101305032D

 63 64  0     0  0  0  0  0  0999 V2000
    6.8671   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851    5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866    4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791   -6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191   -6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751   -5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551   -4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2392    6.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5072    7.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872    6.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6192    7.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3 18  1  0  0  0  0
  3 25  1  0  0  0  0
  4 13  2  0  0  0  0
  5 33  1  0  0  0  0
  5 63  1  0  0  0  0
  6 33  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 23  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 33  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  2  0  0  0  0
 27 50  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END

$$$$
D06BQU
  -OEChem-10101305022D

 38 39  0     1  0  0  0  0  0999 V2000
    5.1350    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12  2  1  1  0  0  0
  2 14  1  0  0  0  0
  8  3  1  1  0  0  0
  3 28  1  0  0  0  0
  9  4  1  6  0  0  0
  4 29  1  0  0  0  0
 10  5  1  6  0  0  0
  5 30  1  0  0  0  0
  6 13  1  0  0  0  0
  6 31  1  0  0  0  0
  7 18  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  1  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D06BYV
  -OEChem-10121501422D

 25 26  0     1  0  0  0  0  0999 V2000
    2.0000    0.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    2.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.3261    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125    0.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    0.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    1.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1739    3.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    3.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707    2.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D06CDO
  -OEChem-04152122252D

 28 27  0     0  0  0  0  0  0999 V2000
    4.4030    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    5.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    3.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7924    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    5.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590    5.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    5.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    3.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790    3.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3059    3.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D06CGB
  -OEChem-10121501062D

 53 56  0     1  0  0  0  0  0999 V2000
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 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END

$$$$
D06CIE
  -OEChem-04152108572D

 27 26  0     0  0  0  0  0  0999 V2000
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 12 23  1  0  0  0  0
M  END

$$$$
D06CNP
  -OEChem-04152122282D

 62 66  0     1  0  0  0  0  0999 V2000
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  6 32  1  6  0  0  0
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  7 15  1  0  0  0  0
  7 17  1  1  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  1  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 16  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 19  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 19  2  0  0  0  0
 15 23  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 27  2  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
M  END

$$$$
D06CTE
  -OEChem-10121500312D

 34 36  0     0  0  0  0  0  0999 V2000
    3.9570    0.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -1.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7693   -2.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    1.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    1.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9032    0.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7693    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9032   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734   -0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572    2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7693   -1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5453    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6512    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5533    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2602    1.5416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6669    2.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612    1.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7534   -0.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385    1.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9465    2.8036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646    3.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    2.4184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859    0.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615    0.5021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2127    2.0443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786    0.3897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6488    2.8883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0914    2.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3062   -2.6110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2323   -2.6110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  2  0  0  0  0
  4 14  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 15  2  0  0  0  0
  9 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 23  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D06CTM
  -OEChem-10101305032D

  9  6  0     0  0  0  0  0  0999 V2000
    0.8660    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.8845    5.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END

$$$$
D06CVT
  -OEChem-10121501412D

 54 56  0     1  0  0  0  0  0999 V2000
    2.0000    3.3867    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3374    4.2503    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3374    5.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5556    4.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015   -4.9403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1675   -3.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374    1.0597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374    4.2503    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.8374    2.0597    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9364    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7384    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7139    3.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609    3.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034    0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   -0.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694   -0.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1839    1.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694   -1.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4909    1.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7234    3.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9514    3.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7713    5.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4355   -2.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4886    2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544    3.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7204    3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4355   -3.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015   -3.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    1.7298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3005    0.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    0.4520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9155    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0928   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4914   -1.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1800   -1.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7815   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288    1.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9589   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3574   -2.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460    1.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5925    4.3969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0824    4.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    4.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0403    5.7099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2127    5.4203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0460   -2.5480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6475   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7333    1.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9415    1.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3122    3.2733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8249   -3.3327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2234   -4.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8384   -5.2503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  5 29  1  0  0  0  0
  5 54  1  0  0  0  0
  6 29  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 31  1  0  0  0  0
  8 13  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  2  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 24  2  0  0  0  0
 17 38  1  0  0  0  0
 18 23  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 25  1  0  0  0  0
 19 41  1  0  0  0  0
 20 26  2  0  0  0  0
 20 42  1  0  0  0  0
 21 27  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 28  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 27  2  0  0  0  0
 25 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D06CWH
  -OEChem-04152122282D

 69 73  0     1  0  0  0  0  0999 V2000
    5.0182   -0.9612    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0319    0.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950   -0.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5576    1.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8722    0.3419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1931    1.8142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.7273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -1.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -2.2273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -1.7273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393   -0.4225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393   -2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271   -0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229   -1.2273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6610   -0.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7510   -2.2341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5431   -3.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -3.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -3.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1493    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9229   -1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163   -1.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -3.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622   -0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -2.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -3.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4996    2.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5480    1.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7092    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8060    2.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    3.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0156    3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -2.5725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0883   -2.5989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -2.3412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    0.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    0.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  1  0  0  0  0
 35 68  1  0  0  0  0
 36 69  1  0  0  0  0
M  END

$$$$
D06DLI
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END

$$$$
D06EEL
  -OEChem-04152109302D

134136  0     1  0  0  0  0  0999 V2000
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 63133  1  0  0  0  0
 63134  1  0  0  0  0
M  END

$$$$
D06EMT
  -OEChem-04152109532D

 22 21  0     1  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 18  1  0  0  0  0
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 10 20  1  0  0  0  0
M  END

$$$$
D06ENM
  -OEChem-10191521162D

 57 60  0     1  0  0  0  0  0999 V2000
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 25 53  1  0  0  0  0
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 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
M  END

$$$$
D06EPF
  -OEChem-04152121562D

152159  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D06EQP
  -OEChem-10101305022D

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  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 22  2  0  0  0  0
  3  6  1  0  0  0  0
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  4  5  1  0  0  0  0
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  8 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  2  0  0  0  0
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 12 30  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 36  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 19  2  0  0  0  0
 17 38  1  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END

$$$$
D06FDR
  -OEChem-10121500302D

 29 31  0     1  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
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  2 28  1  0  0  0  0
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  4 13  1  0  0  0  0
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  7 16  1  0  0  0  0
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  8 18  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
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 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D06FEA
  -OEChem-10191522532D

 57 57  0     1  0  0  0  0  0999 V2000
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   10.7906   -2.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15  3  1  1  0  0  0
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 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 24  1  0  0  0  0
 21 48  1  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
 22 51  1  0  0  0  0
 23 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
M  END

$$$$
D06FES
  -OEChem-10111523242D

 42 44  0     0  0  0  0  0  0999 V2000
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    6.0065    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
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 10 27  1  0  0  0  0
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 11 15  2  0  0  0  0
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 18 35  1  0  0  0  0
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 20 42  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D06FOU
  -OEChem-02031521022D

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 17 45  1  0  0  0  0
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 19 54  1  0  0  0  0
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 32 33  1  0  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
M  END

$$$$
D06FPQ
  -OEChem-10121501162D

 35 37  0     1  0  0  0  0  0999 V2000
    8.4097   -2.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D06FVX
  -OEChem-04152108462D

 44 44  0     0  0  0  0  0  0999 V2000
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    7.2622    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0106    1.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7923    0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4639   -1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4041    2.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0604   -1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 15  1  0  0  0  0
  3 26  1  0  0  0  0
  4 21  2  0  0  0  0
  5 23  2  0  0  0  0
  6 28  1  0  0  0  0
  7 28  2  0  0  0  0
  8 29  1  0  0  0  0
  9 29  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 32  1  0  0  0  0
 18 24  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 25  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
 23 27  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 44  1  0  0  0  0
M  CHG  4   1   1   2   1   6  -1   8  -1
M  END

$$$$
D06FWC
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    7.0444    0.0492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5096    0.7381    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -2.0984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -0.0740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5984    0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    1.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742    0.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8209   -3.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803   -0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7765    1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879    1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    2.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104    2.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2670    0.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -2.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -3.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589   -3.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4254   -2.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160   -1.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4954    1.6209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5915    2.5759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    3.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039    3.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D06FZX
  -OEChem-10121501102D

 39 41  0     1  0  0  0  0  0999 V2000
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    5.5211    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8949    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  2  0  0  0  0
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 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 14 18  2  0  0  0  0
 14 33  1  0  0  0  0
 15 19  2  0  0  0  0
 15 34  1  0  0  0  0
 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D06GAM
  -OEChem-10101305022D

 44 46  0     0  0  0  0  0  0999 V2000
    6.3301   -1.2450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9271   -2.7896    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7282    1.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D06GBQ
  -OEChem-10101305022D

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M  END

$$$$
D06GCK
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
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 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D06GCO
  -OEChem-10101305022D

185191  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D06GDY
  -OEChem-04152110362D

 44 47  0     1  0  0  0  0  0999 V2000
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    5.4641    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    1.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0529   -0.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0529    0.6047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  4 22  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  6  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  1  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 37  1  0  0  0  0
 15 18  2  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 23  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D06GIP
  -OEChem-10111523492D

 25 25  0     0  0  0  0  0  0999 V2000
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END

$$$$
D06GJT
  -OEChem-04152109262D

 44 46  0     1  0  0  0  0  0999 V2000
    5.4543   -1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.5684    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3203    0.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8646   -0.7147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8646   -2.3242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482   -1.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    1.9806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2633    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    2.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    2.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0524   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0572   -0.1254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9403   -3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 18  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 35  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  2  0  0  0  0
  6 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 40  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D06GKN
  -OEChem-10111523432D

 40 43  0     0  0  0  0  0  0999 V2000
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    6.3518    0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3424   -1.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1990   -0.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5520   -1.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  9  1  0  0  0  0
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  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
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  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 23  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
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 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D06GWF
  -OEChem-04152108482D

 47 48  0     1  0  0  0  0  0999 V2000
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 13  7  1  6  0  0  0
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 19 37  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D06HBQ
  -OEChem-10101305032D

 70 73  0     0  0  0  0  0  0999 V2000
    4.5981    0.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3244   -2.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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  1 10  1  0  0  0  0
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 23 56  1  0  0  0  0
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 26 30  2  0  0  0  0
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 27 29  1  0  0  0  0
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 29 33  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 63  1  0  0  0  0
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 32 36  1  0  0  0  0
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 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
M  END

$$$$
D06HCP
  -OEChem-10101305022D

 37 39  0     1  0  0  0  0  0999 V2000
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    3.6534    1.1190    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.0662   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7983   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9323   -0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0652   -1.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2002   -2.7034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2013   -1.7734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6643   -2.7034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4692    1.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3953    1.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 33  1  0  0  0  0
  5 17  1  0  0  0  0
  5 20  1  0  0  0  0
  5 32  1  0  0  0  0
  6 20  2  0  0  0  0
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  7 20  1  0  0  0  0
  7 22  2  0  0  0  0
  8 21  2  0  0  0  0
  8 22  1  0  0  0  0
  9 21  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 22  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D06HLY
  -OEChem-10121500012D

 31 32  0     1  0  0  0  0  0999 V2000
    5.0032   -1.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4154   -2.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4738    2.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    1.4285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6942   -0.9957    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5032    0.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -1.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    1.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2828    0.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7306    2.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2912    1.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4117    0.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3158    2.2950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  1  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 13  2  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D06HZY
  -OEChem-04152108412D

 24 24  0     1  0  0  0  0  0999 V2000
    5.1350   -0.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -1.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -0.5205    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.9795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    1.4795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  7  2  1  1  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  9  4  1  6  0  0  0
  4 22  1  0  0  0  0
 10  5  1  6  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

$$$$
D06IAQ
  -OEChem-10101305022D

 78 79  0     0  0  0  0  0  0999 V2000
   11.5263    4.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4282    2.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
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  7 30  1  0  0  0  0
  7 69  1  0  0  0  0
  8 18  1  0  0  0  0
  8 29  1  0  0  0  0
  8 70  1  0  0  0  0
  9 17  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 18  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 19  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 20  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 21  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 22  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 23  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 24  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 25  1  0  0  0  0
 19 28  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 32  2  0  0  0  0
 26 31  2  0  0  0  0
 27 34  1  0  0  0  0
 27 72  1  0  0  0  0
 28 33  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 31 36  1  0  0  0  0
 31 74  1  0  0  0  0
 32 35  1  0  0  0  0
 32 73  1  0  0  0  0
 33 35  2  0  0  0  0
 33 75  1  0  0  0  0
 34 36  2  0  0  0  0
 34 76  1  0  0  0  0
 35 77  1  0  0  0  0
 36 78  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END

$$$$
D06IAR
  -OEChem-10111523572D

 32 34  0     1  0  0  0  0  0999 V2000
    4.4026    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405    0.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889    0.0818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9422    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6844    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    1.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3154    0.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    1.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642    3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
 10  2  1  1  0  0  0
  2 26  1  0  0  0  0
 12  3  1  1  0  0  0
  3 27  1  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
 11  5  1  6  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7 15  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  2  0  0  0  0
  9 18  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  6  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D06IDT
  -OEChem-10101305032D

 94 93  0     0  0  0  0  0  0999 V2000
    2.5000   10.1200    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   10.1200    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.4142   16.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3520    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2803   14.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1463   19.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6200    1.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.5482   14.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    6.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8162   10.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9501   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8162   11.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9501    9.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6822   12.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0841    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6822   13.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0841    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5482   13.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1463   18.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1463   20.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1463   19.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1463   19.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2803   17.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0123   17.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7540    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2803   16.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4142   15.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3520    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6822   15.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0841    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0123   16.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7540    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1463   16.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7381   10.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3395   10.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282   10.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4267   10.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6041   12.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2056   11.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1622    8.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5607    9.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8942   11.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2928   12.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8720    9.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    8.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4701   13.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0716   13.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2962    7.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6947    7.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7603   13.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1588   13.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0060    7.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075    7.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    2.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2400    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    2.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7663   20.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1463   20.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263   20.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1463   18.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7663   19.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1463   19.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1463   19.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5263   19.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1463   18.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7433   17.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5492   17.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2170    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7741    5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6210    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3941    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9922   15.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452   15.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3722   14.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5492   16.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2170    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1463   15.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    5.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 33  1  0  0  0  0
  3 35  1  0  0  0  0
  4 34  1  0  0  0  0
  4 36  1  0  0  0  0
  5 35  2  0  0  0  0
  6 36  2  0  0  0  0
  7 21  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 20  1  0  0  0  0
  9 35  1  0  0  0  0
  9 37  1  0  0  0  0
 10 19  1  0  0  0  0
 10 36  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 14  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 15  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 16  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 17  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 18  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 20  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 30  2  0  0  0  0
 21 31  1  0  0  0  0
 22 29  2  0  0  0  0
 22 32  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 72  1  0  0  0  0
 26 73  1  0  0  0  0
 26 74  1  0  0  0  0
 27 75  1  0  0  0  0
 27 76  1  0  0  0  0
 27 77  1  0  0  0  0
 28 78  1  0  0  0  0
 28 79  1  0  0  0  0
 28 80  1  0  0  0  0
 29 34  1  0  0  0  0
 29 82  1  0  0  0  0
 30 33  1  0  0  0  0
 30 81  1  0  0  0  0
 31 39  2  0  0  0  0
 31 83  1  0  0  0  0
 32 40  2  0  0  0  0
 32 84  1  0  0  0  0
 33 41  2  0  0  0  0
 34 42  2  0  0  0  0
 37 88  1  0  0  0  0
 37 89  1  0  0  0  0
 37 90  1  0  0  0  0
 38 85  1  0  0  0  0
 38 86  1  0  0  0  0
 38 87  1  0  0  0  0
 39 41  1  0  0  0  0
 39 91  1  0  0  0  0
 40 42  1  0  0  0  0
 40 92  1  0  0  0  0
 41 93  1  0  0  0  0
 42 94  1  0  0  0  0
M  CHG  4   1  -1   2  -1   7   1   8   1
M  END

$$$$
D06IGU
  -OEChem-04152108442D

124127  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D06IIB
  -OEChem-04152122262D

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    2.8641    2.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -1.2851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144   -1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6840   -2.3764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3271   -2.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9505    0.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5520    1.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    1.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203   -1.2982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1185   -1.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160   -0.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7429    0.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960    0.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -0.1993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5988   -0.8891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    2.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9615    2.9135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8345    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7648    2.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    2.4134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    2.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    3.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    3.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4525   -1.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   -1.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2252   -3.2013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0719   -3.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2996   -2.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3699   -2.4248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480   -1.6898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1131   -1.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
 12  2  1  6  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
 16  5  1  1  0  0  0
  5 52  1  0  0  0  0
  6 22  2  0  0  0  0
  7 31  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  6  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 33  1  1  0  0  0
 11 14  1  0  0  0  0
 11 22  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  1  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 20  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 31  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 31  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
M  END

$$$$
D06IXT
          11280714502D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
    7.2042   -7.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6375   -6.8042    0.0000 N   0  0  3  0  0  0           0  0  0
    7.2042   -6.8042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9042   -6.3292    0.0000 N   0  0  3  0  0  0           0  0  0
    8.6375   -7.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4292   -6.4292    0.0000 O   0  0  0  0  0  0           0  0  0
    7.9042   -5.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3875   -8.0542    0.0000 C   0  0  3  0  0  0           0  0  0
    9.4917   -6.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4292   -8.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7250   -4.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1250   -4.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5792   -7.5625    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3750   -8.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1250   -3.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7250   -3.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9042   -3.5250    0.0000 C   0  0  0  0  0  0           0  0  0
  2  5  1  0     0  0
  3  1  1  0     0  0
  4  3  1  0     0  0
  5  1  2  0     0  0
  6  3  2  0     0  0
  7  4  1  0     0  0
  8  1  1  0     0  0
  9  2  1  0     0  0
 10  5  1  0     0  0
 11  7  1  0     0  0
 12  7  2  0     0  0
 13  8  1  0     0  0
 14  8  1  0     0  0
 15 12  1  0     0  0
 16 11  2  0     0  0
 17 15  2  0     0  0
  4  2  1  0     0  0
 17 16  1  0     0  0
M  END

$$$$
D06IZM
  -OEChem-04152108442D

 26 25  0     1  0  0  0  0  0999 V2000
    6.3301   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
 17  1  1  1  0  0  0
  2 14  1  0  0  0  0
 18  2  1  6  0  0  0
  3 15  1  0  0  0  0
  3 19  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5 13  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  CHG  8   5  -1   7  -1   9  -1  11  -1  13   1  14   1  15   1  16   1
M  END

$$$$
D06JDK
          05270500362D 1   1.00000     0.00000     0

 20 19  0     0  0            999 V2000
    0.4412    1.1083    0.0000 C   0  0  3  0  0  0           0  0  0
    1.2629    1.1215    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.3862    1.0936    0.0000 C   0  0  3  0  0  0           0  0  0
    0.4555    0.2817    0.0000 F   0  0  0  0  0  0           0  0  0
    0.4248    1.9316    0.0000 F   0  0  0  0  0  0           0  0  0
    2.0889    1.1334    0.0000 C   0  0  3  0  0  0           0  0  0
    1.2802    0.2946    0.0000 F   0  0  0  0  0  0           0  0  0
    1.2498    1.9447    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.2084    1.0812    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.3980    1.9176    0.0000 F   0  0  0  0  0  0           0  0  0
   -0.3692    0.2704    0.0000 F   0  0  0  0  0  0           0  0  0
    2.9153    1.1469    0.0000 C   0  0  3  0  0  0           0  0  0
    2.1024    0.3109    0.0000 F   0  0  0  0  0  0           0  0  0
    2.0774    1.9580    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.2206    1.9054    0.0000 F   0  0  0  0  0  0           0  0  0
   -2.0347    1.0669    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.1944    0.2545    0.0000 F   0  0  0  0  0  0           0  0  0
    2.9275    0.3227    0.0000 F   0  0  0  0  0  0           0  0  0
    2.8999    1.9711    0.0000 F   0  0  0  0  0  0           0  0  0
    3.5943    1.0645    0.0000 F   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  0     0  0
  2  6  1  0     0  0
  2  7  1  0     0  0
  2  8  1  0     0  0
  3  9  1  0     0  0
  3 10  1  0     0  0
  3 11  1  0     0  0
  6 12  1  0     0  0
  6 13  1  0     0  0
  6 14  1  0     0  0
  9 15  1  0     0  0
  9 16  1  0     0  0
  9 17  1  0     0  0
 12 18  1  0     0  0
 12 19  1  0     0  0
 12 20  1  0     0  0
M  END

$$$$
D06JGH
  -OEChem-10121500342D

 26 26  0     0  0  0  0  0  0999 V2000
    7.7331    0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9231   -1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 24  1  0  0  0  0
  4 26  1  0  0  0  0
  5 25  1  0  0  0  0
  6 16  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D06JPB
  -OEChem-04152110302D

 73 75  0     1  0  0  0  0  0999 V2000
    2.0000   -4.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4103    1.4582    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.1535    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9939    0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    2.4087    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    3.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    2.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D06KDP
  -OEChem-04152110072D

238242  0     1  0  0  0  0  0999 V2000
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106235  1  0  0  0  0
107236  1  0  0  0  0
107237  1  0  0  0  0
107238  1  0  0  0  0
M  END

$$$$
D06KGV
  -OEChem-04152109572D

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M  END

$$$$
D06KKS
  -OEChem-10191522532D

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  9 25  1  6  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END

$$$$
D06KYN
  -OEChem-04152108542D

 46 47  0     1  0  0  0  0  0999 V2000
    3.4030   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6550    3.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    2.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  1 40  1  0  0  0  0
  2 18  1  0  0  0  0
  2 44  1  0  0  0  0
  3 22  1  0  0  0  0
  3 45  1  0  0  0  0
  4 23  1  0  0  0  0
  4 46  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  2  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 17 39  1  0  0  0  0
 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D06LBO
  -OEChem-04152108572D

 37 39  0     0  0  0  0  0  0999 V2000
    2.8660    2.1488    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    2.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9757    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7060    2.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2615    1.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 17  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
 14 29  1  0  0  0  0
 15 20  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END

$$$$
D06LHG
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    5.4641   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5200   -1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9441   -3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 18  1  0  0  0  0
  2 33  1  0  0  0  0
  3 18  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D06LHU
  MDL     03120710482D 1   1.00000     0.00000     0

 21 21  0     0  0            999 V2000
   -1.1655   -0.5931    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1655    0.6241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2862   -1.1621    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0759   -1.2448    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.2862    1.1931    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0414    1.1931    0.0000 I   0  0  0  0  0  0           0  0  0
    0.5897   -0.5931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2862   -2.3000    0.0000 I   0  0  0  0  0  0           0  0  0
   -3.0172   -0.5931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5897    0.6241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2862    2.3310    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4690   -1.1621    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.0621   -1.2448    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0172    0.3793    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4690    1.1931    0.0000 I   0  0  0  0  0  0           0  0  0
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   -1.1655    2.9034    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.5517   -2.0586    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  7 12  1  0     0  0
  9 13  1  0     0  0
  9 14  2  0     0  0
 10 15  1  0     0  0
 11 16  1  0     0  0
 11 17  2  0     0  0
 12 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 19 21  2  0     0  0
  7 10  2  0     0  0
M  END

$$$$
D06LNW
  -OEChem-10101305022D

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 68140  1  0  0  0  0
 69 71  2  0  0  0  0
 70 71  1  0  0  0  0
 72142  1  0  0  0  0
 72143  1  0  0  0  0
 72144  1  0  0  0  0
M  END

$$$$
D06LOQ
  -OEChem-10101305022D

 63 67  0     0  0  0  0  0  0999 V2000
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  1 17  1  0  0  0  0
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 17 24  1  0  0  0  0
 18 22  1  0  0  0  0
 18 49  1  0  0  0  0
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 20 26  1  0  0  0  0
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 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
M  END

$$$$
D06LYG
  -OEChem-10121501232D

 36 36  0     1  0  0  0  0  0999 V2000
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 16 36  1  0  0  0  0
M  END

$$$$
D06LYS
  -OEChem-04152109022D

 89 93  0     1  0  0  0  0  0999 V2000
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 44 89  1  0  0  0  0
M  END

$$$$
D06MAJ
  -OEChem-10101305032D

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M  END

$$$$
D06MQM
  -OEChem-10101305032D

 67 70  0     1  0  0  0  0  0999 V2000
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 21 50  1  0  0  0  0
 23 26  2  0  0  0  0
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 29 59  1  0  0  0  0
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 33 35  2  0  0  0  0
 33 66  1  0  0  0  0
 34 35  1  0  0  0  0
 34 67  1  0  0  0  0
M  END

$$$$
D06MRT
          01210517072D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
    2.3792   -1.8417    0.0000 N   0  0  0  0  0  0           0  0  0
    3.3042   -2.5250    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.0875   -1.8500    0.0000 N   0  0  0  0  0  0           0  0  0
    2.7292   -2.9292    0.0000 N   0  0  0  0  0  0           0  0  0
    6.4250   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0375   -2.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8125   -2.5042    0.0000 N   0  0  0  0  0  0           0  0  0
    3.9625   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1917   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5792   -2.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4167   -3.5667    0.0000 O   0  0  0  0  0  0           0  0  0
    7.0375   -1.7917    0.0000 O   0  0  0  0  0  0           0  0  0
    7.6500   -2.8542    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9625   -3.5625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5792   -3.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1917   -3.5625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  4  2  0     0  0
  3  1  2  0     0  0
  4  1  1  0     0  0
  5  3  1  0     0  0
  6  8  1  0     0  0
  7  6  1  0     0  0
  8 10  1  0     0  0
  9  2  1  0     0  0
 10 11  1  0     0  0
 11  9  2  0     0  0
 12  6  2  0     0  0
 13  7  2  0     0  0
 14  7  1  0     0  0
 15  9  1  0     0  0
 16 15  2  0     0  0
 17 16  1  0     0  0
  2  5  1  0     0  0
 10 17  2  0     0  0
M  END

$$$$
D06MRY
          05101101182D 1   1.00000     0.00000     0

 24 24  0     0  0            999 V2000
    3.0208    1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0125    0.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4000    1.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7875    1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7875    0.3875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4000    0.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6958    1.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1125    0.7375    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6875    0.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1708    1.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5500    1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9250    1.1125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9208    1.9917    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0625    1.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9250    0.4000    0.0000 O   0  5  0  0  0  0           0  0  0
    2.4000    2.1667    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1708    0.0292    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3000    1.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6875    1.1042    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5375    1.4625    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4000   -0.6833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0625    2.1750    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5500    0.3875    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9750   -0.1500    0.0000 Na  0  3  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  3  2  0     0  0
  5  4  1  0     0  0
  6  2  1  0     0  0
  7  1  1  0     0  0
  8  7  1  0     0  0
  9  2  1  0     0  0
 10  4  1  0     0  0
 11 10  1  0     0  0
 12 18  1  0     0  0
 13  7  2  0     0  0
 14 11  2  0     0  0
 15 12  1  0     0  0
 16  3  1  0     0  0
 17  5  1  0     0  0
 18 19  1  0     0  0
 19 14  1  0     0  0
 20 12  2  0     0  0
 21  6  1  0     0  0
 22 14  1  0     0  0
 23 17  1  0     0  0
  9  8  1  0     0  0
  5  6  2  0     0  0
M  CHG  2  15  -1  24   1
M  END

$$$$
D06NNU
          01280517572D 1   1.00000     0.00000     0

 98112  0     1  0            999 V2000
    5.6792   -4.5625    0.0000 N   0  3  3  0  0  0           0  0  0
    9.3667   -2.4375    0.0000 N   0  3  3  0  0  0           0  0  0
    5.0917   -1.3792    0.0000 N   0  3  3  0  0  0           0  0  0
   10.0792   -2.4292    0.0000 C   0  0  1  0  0  0           0  0  0
    5.6792   -5.2667    0.0000 C   0  0  1  0  0  0           0  0  0
    4.7292   -0.7125    0.0000 C   0  0  1  0  0  0           0  0  0
   10.4417   -1.8250    0.0000 C   0  0  1  0  0  0           0  0  0
    4.0167   -0.7250    0.0000 C   0  0  1  0  0  0           0  0  0
    6.3167   -5.6292    0.0000 C   0  0  1  0  0  0           0  0  0
    3.9917   -1.9625    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3667   -1.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9292   -4.5625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6292   -1.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9292   -5.2750    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.4417   -3.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0917   -5.6542    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.6917   -1.9625    0.0000 C   0  0  0  0  0  0           0  0  0
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 60 42  1  0     0  0
 61 43  1  0     0  0
 62 41  1  0     0  0
 63 50  1  0     0  0
 64 52  1  0     0  0
 65 51  1  0     0  0
 66 22  1  0     0  0
 67 87  1  0     0  0
 68 22  1  0     0  0
 69 55  1  0     0  0
 70 56  1  0     0  0
 71 54  1  0     0  0
 72 57  1  0     0  0
 73 58  1  0     0  0
 74 59  1  0     0  0
 75  1  1  0     0  0
 76 51  2  0     0  0
 77 89  1  0     0  0
 78 52  1  0     0  0
 79 88  1  0     0  0
 80 50  2  0     0  0
 84  3  1  0     0  0
 85  2  1  0     0  0
 86  1  1  0     0  0
 87 75  1  0     0  0
 88 68  1  0     0  0
 89 66  1  0     0  0
 28 90  1  1     0  0
 26 91  1  1     0  0
 27 92  1  1     0  0
  9 93  1  6     0  0
  7 94  1  6     0  0
  4 95  1  6     0  0
  6 96  1  6     0  0
  8 97  1  6     0  0
  5 98  1  6     0  0
 14  9  1  0     0  0
 46 41  2  0     0  0
 27 38  1  0     0  0
 70 64  1  0     0  0
 48 78  2  0     0  0
 62 74  1  0     0  0
 13  8  1  0     0  0
 15  7  1  0     0  0
 45 42  2  0     0  0
 26 40  1  0     0  0
 44 43  2  0     0  0
 28 39  1  0     0  0
 71 63  1  0     0  0
 49 80  1  0     0  0
 69 65  1  0     0  0
 47 76  1  0     0  0
 73 60  1  0     0  0
 72 61  1  0     0  0
M  CHG  6   1   1   2   1   3   1  81  -1  82  -1  83  -1
M  END

$$$$
D06NSA
  -OEChem-10121501252D

 35 35  0     1  0  0  0  0  0999 V2000
    4.0000   -3.2320    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.6340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    1.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    1.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    1.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    0.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750    1.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750    2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631    2.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D06NSS
  -OEChem-04152108452D

 50 53  0     0  0  0  0  0  0999 V2000
    4.6600    0.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3572   -2.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3804   -0.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9767    3.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056   -5.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    2.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056   -2.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0230    5.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7037   -4.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7546    5.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8377   -6.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5086   -0.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6484   -0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4970   -1.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998    1.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3457   -3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8078    2.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396   -3.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536    2.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396   -4.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898    0.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4396   -3.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6852    2.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056   -3.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321    2.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3457   -5.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4396   -4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7083    3.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9716   -3.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541    4.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9716   -4.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8772    5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8377   -5.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5158   -0.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0391   -0.2033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4296   -0.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8877   -1.7132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783   -2.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8778    0.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9039   -3.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5062    2.5962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3528   -6.0271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    0.9312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9039   -5.2054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875    0.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2523    4.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086   -3.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373    6.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2406   -5.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  1  0  0  0  0
  3 46  1  0  0  0  0
  4 19  1  0  0  0  0
  4 31  1  0  0  0  0
  5 20  1  0  0  0  0
  5 32  1  0  0  0  0
  6 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 33  1  0  0  0  0
  8 49  1  0  0  0  0
  9 34  1  0  0  0  0
  9 50  1  0  0  0  0
 10 33  2  0  0  0  0
 11 34  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
 16 22  2  0  0  0  0
 17 19  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 40  1  0  0  0  0
 22 28  1  0  0  0  0
 22 41  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  2  0  0  0  0
 29 47  1  0  0  0  0
 30 32  2  0  0  0  0
 30 48  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END

$$$$
D06NVJ
  -OEChem-04152108372D

 15 15  0     0  0  0  0  0  0999 V2000
    2.0000    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END

$$$$
D06NXY
  -OEChem-10121501072D

 46 49  0     1  0  0  0  0  0999 V2000
    8.5677    1.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -2.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    0.6286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9288   -0.3714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628   -0.8714    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8750    0.9333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1968   -0.3714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968    0.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586    0.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789   -1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    1.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2868   -0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787   -1.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6851    1.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599   -0.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3433   -2.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -0.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4951    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0188   -1.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022   -1.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9329    0.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4613    1.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6643    1.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6240   -1.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124   -0.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    1.2112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5488    1.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    2.2486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3088    1.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835   -2.9167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9833    2.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719    0.3057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457   -3.0896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787   -0.5260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9973    2.4696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1  0  0  0
  1 41  1  0  0  0  0
  2 21  1  0  0  0  0
  2 46  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  1  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  6  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  1  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  6  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  3  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D06OAV
  SciTegic01161211252D

 15 14  0  0  0  0            999 V2000
    4.3542   -5.8042    0.0000 C   0  0
    4.9667   -5.4500    0.0000 N   0  0
    6.1917   -5.4375    0.0000 C   0  0
    3.7417   -5.4625    0.0000 C   0  0
    6.8167   -5.7875    0.0000 O   0  5
    4.3542   -6.5167    0.0000 O   0  0
    6.2000   -4.7167    0.0000 O   0  0
    5.5917   -5.7917    0.0000 C   0  0
    3.1292   -5.8167    0.0000 C   0  0
    3.7292   -4.7542    0.0000 C   0  0
    2.5000   -4.7625    0.0000 C   0  0
    1.8750   -4.4125    0.0000 N   0  0
    2.5042   -5.4667    0.0000 C   0  0
    3.1125   -4.4000    0.0000 C   0  0
    7.4542   -5.8417    0.0000 Na  0  3
  2  1  1  0
  3  8  1  0
  4  1  1  0
  5  3  1  0
  6  1  2  0
  7  3  2  0
  8  2  1  0
  9  4  2  0
 10  4  1  0
 11 14  1  0
 12 11  1  0
 13  9  1  0
 14 10  2  0
 11 13  2  0
M  CHG  2   5  -1  15   1
M  ENDM  END

$$$$
D06OFS
  -OEChem-04152109012D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -1.5014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0411   -0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5411    0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762    1.4259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027   -0.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    0.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7576    2.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2827    3.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674    3.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    2.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5661   -1.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5160   -1.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -0.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487    0.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    0.3964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026   -2.5813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -3.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -3.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -2.5813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3 11  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END

$$$$
D06OIV
  -OEChem-10121501012D

 36 36  0     0  0  0  0  0  0999 V2000
    3.0000   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5970   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 14 17  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D06OMK
  -OEChem-10121504072D

126129  0     1  0  0  0  0  0999 V2000
    9.0264   -2.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7993   -4.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0264   -1.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4013   -3.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8346    5.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4905   -2.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    0.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7924   -1.6709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6049   -3.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6245   -1.2349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2534   -4.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 57126  1  0  0  0  0
M  END

$$$$
D06OMW
  -OEChem-10121500552D

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 12 13  3  0  0  0  0
 13 26  1  0  0  0  0
M  END

$$$$
D06ORU
  -OEChem-04152108532D

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 15 44  1  0  0  0  0
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 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
 19 48  1  0  0  0  0
 20 22  2  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
M  END

$$$$
D06OSM
  -OEChem-10121500382D

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   12.9400    2.4356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8836    1.4408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
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 26 28  2  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  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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 17 10  1  1  0  0  0
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 30 47  1  0  0  0  0
 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

$$$$
D06OVY
  -OEChem-10101305032D

 45 47  0     1  0  0  0  0  0999 V2000
    4.5981    0.4227    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4322   -0.0729    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    3.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5587   -1.2349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4185    1.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5853    2.2486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2444   -4.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 17  2  0  0  0  0
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  5 21  2  0  0  0  0
  6 22  2  0  0  0  0
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  8 30  1  0  0  0  0
  8 45  1  0  0  0  0
  9 30  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 16 11  1  1  0  0  0
 11 22  1  0  0  0  0
 11 33  1  0  0  0  0
 12 24  2  0  0  0  0
 13 26  1  0  0  0  0
 13 28  2  0  0  0  0
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 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  6  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 26  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 26 27  2  0  0  0  0
 27 40  1  0  0  0  0
 29 30  1  0  0  0  0
 29 41  1  0  0  0  0
 29 42  1  0  0  0  0
M  END

$$$$
D06PEB
  -OEChem-10101305032D

 57 59  0     0  0  0  0  0  0999 V2000
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    4.8886    5.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0981   -1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    5.3066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    5.4153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7916    4.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1297    6.7619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420    6.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4327    6.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -4.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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 10 35  1  0  0  0  0
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 13 20  1  0  0  0  0
 13 37  1  0  0  0  0
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 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 21  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 18 22  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 22 24  2  0  0  0  0
 22 51  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 28  1  0  0  0  0
 26 54  1  0  0  0  0
 27 29  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  2  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D06PQT
  -OEChem-10191522532D

 35 36  0     0  0  0  0  0  0999 V2000
    2.3090    1.0304    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    3.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.5084    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5411   -3.5084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -2.0084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -3.5084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    1.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    2.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -3.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -3.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -3.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8090   -4.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8257    4.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8100   -3.8184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5831   -2.9715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 32  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4 15  2  0  0  0  0
  4 17  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  2  0  0  0  0
  6 15  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D06PSS
  -OEChem-10121501002D

 50 51  0     1  0  0  0  0  0999 V2000
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    2.5369   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 17  1  0  0  0  0
  2 47  1  0  0  0  0
  3 17  2  0  0  0  0
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 15  4  1  1  0  0  0
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 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 35  1  0  0  0  0
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 15 16  1  0  0  0  0
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 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 20 22  2  0  0  0  0
 20 46  1  0  0  0  0
 21 23  2  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END

$$$$
D06PTA
  -OEChem-10101305022D

 54 56  0     1  0  0  0  0  0999 V2000
    5.1350   -0.1836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9719    3.1013    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.7086    2.1187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4497    1.1528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5405    1.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2817    0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146   -0.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9900    4.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -1.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6836    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -1.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -3.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9286    2.9397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2297    0.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1318    1.1735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7526    1.9425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0696   -0.1886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8730    0.2075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033    1.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858    1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5769   -0.6103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3753   -0.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5781    3.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6319    5.1852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  2  0  0  0  0
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  7  8  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 14  1  0  0  0  0
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 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
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 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 49  1  0  0  0  0
 21 23  2  0  0  0  0
 21 50  1  0  0  0  0
 22 24  2  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D06PZN
  -OEChem-10111523472D

 54 56  0     1  0  0  0  0  0999 V2000
    7.1962   -4.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    5.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -5.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 31  1  0  0  0  0
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 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 20  1  0  0  0  0
 16 42  1  0  0  0  0
 17 21  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D06QCC
  -OEChem-10101305032D

 50 53  0     1  0  0  0  0  0999 V2000
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  1 18  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 28  1  0  0  0  0
  3 30  1  0  0  0  0
  3 32  1  0  0  0  0
  4 20  2  0  0  0  0
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  5 41  1  0  0  0  0
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  7 26  2  0  0  0  0
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  9 18  1  0  0  0  0
  9 20  1  0  0  0  0
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 19 10  1  1  0  0  0
 10 26  1  0  0  0  0
 10 38  1  0  0  0  0
 11 27  2  0  0  0  0
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 13 29  1  0  0  0  0
 13 32  2  0  0  0  0
 14 16  1  0  0  0  0
 14 28  2  0  0  0  0
 15 16  2  0  0  0  0
 17 32  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  6  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 31 44  1  0  0  0  0
 31 45  1  0  0  0  0
 33 46  1  0  0  0  0
 33 47  1  0  0  0  0
 33 48  1  0  0  0  0
M  END

$$$$
D06QDR
  -OEChem-04152109042D

 36 35  0     1  0  0  0  0  0999 V2000
    6.3301   -0.4720    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.3940    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4720    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
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  2 13  1  0  0  0  0
  3 15  1  0  0  0  0
 14  4  1  6  0  0  0
  4 35  1  0  0  0  0
  7 16  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
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 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D06QKV
          01210517092D 1   1.00000     0.00000     0

 20 21  0     0  0            999 V2000
    3.1292   -2.2542    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7542   -1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3792   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1292   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8542   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8542   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2292   -3.3167    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.6167   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0000   -1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3792   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2292   -1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6167   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.4667   -1.9125    0.0000 O   0  0  0  0  0  0           0  0  0
    6.8542   -4.3792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4667   -1.2167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5  7  1  0     0  0
  6 12  1  0     0  0
  7 13  2  0     0  0
  8  4  2  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
 11  8  1  0     0  0
 12  9  2  0     0  0
 13  9  1  0     0  0
 14  2  1  0     0  0
 15  4  1  0     0  0
 16  5  1  0     0  0
 17  7  1  0     0  0
 18  6  1  0     0  0
 19 17  1  0     0  0
 20 18  1  0     0  0
 11  3  2  0     0  0
  5  6  2  0     0  0
M  END

$$$$
D06RCB
  -OEChem-10101305022D

 35 35  0     0  0  0  0  0  0999 V2000
    5.4641   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6762   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1760   -3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END

$$$$
D06REO
  -OEChem-10101305022D

 44 44  0     1  0  0  0  0  0999 V2000
    9.5656    4.0787    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 37  1  0  0  0  0
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  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
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 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
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 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D06RFG
  -OEChem-04152122292D

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 46 47  1  0  0  0  0
 46 97  1  0  0  0  0
 46 98  1  0  0  0  0
 47 48  1  0  0  0  0
 47 99  1  0  0  0  0
 47100  1  0  0  0  0
 48 49  1  0  0  0  0
 48102  1  0  0  0  0
 48103  1  0  0  0  0
 49104  1  0  0  0  0
 49105  1  0  0  0  0
 49106  1  0  0  0  0
M  END

$$$$
D06RGG
  -OEChem-04152109092D

 35 36  0     1  0  0  0  0  0999 V2000
    6.0010    0.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  6 18  1  0  0  0  0
  6 34  1  0  0  0  0
  7 18  2  0  0  0  0
  8 24  1  0  0  0  0
  8 35  1  0  0  0  0
 11  9  1  1  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 18  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END

$$$$
D06RUL
  SciTegic12111209592D

 34 36  0  0  0  0            999 V2000
    2.5167   -2.0000    0.0000 C   0  0
    1.8792   -0.2292    0.0000 C   0  0
    1.2750   -2.0125    0.0000 C   0  0
    1.9125   -2.3667    0.0000 O   0  0
    1.8917   -0.9417    0.0000 O   0  0
    1.2792   -1.3042    0.0000 C   0  0
    0.6667   -2.3792    0.0000 C   0  0
    0.0500   -2.0292    0.0000 C   0  0
    3.1375   -2.3542    0.0000 C   0  0
    2.4917    0.1458    0.0000 C   0  0
   -1.7958   -2.4167    0.0000 N   0  0
    2.5167   -1.2875    0.0000 O   0  0
    1.2667    0.1208    0.0000 O   0  0
    0.6500   -0.9542    0.0000 C   0  0
    0.0375   -1.3125    0.0000 C   0  0
   -2.4167   -2.0708    0.0000 C   0  0
   -1.1833   -2.0542    0.0000 C   0  0
   -0.5583   -2.3917    0.0000 C   0  0
    3.7500   -1.9875    0.0000 C   0  0
    3.1250   -0.2042    0.0000 C   0  0
    2.4875    0.8458    0.0000 C   0  0
    3.1500   -3.0667    0.0000 C   0  0
    3.0917    1.2208    0.0000 C   0  0
    3.7708   -3.4042    0.0000 C   0  0
    4.3625   -2.3333    0.0000 C   0  0
    3.7292    0.1583    0.0000 C   0  0
    3.7250    0.8583    0.0000 C   0  0
    4.3875   -3.0375    0.0000 C   0  0
   -0.5583   -3.1042    0.0000 O   0  0
   -2.7750   -1.4542    0.0000 C   0  0
   -3.0250   -2.4333    0.0000 C   0  0
   -2.0708   -1.4542    0.0000 C   0  0
    5.0000   -3.3958    0.0000 C   0  0
    4.3292    1.2250    0.0000 C   0  0
  2  5  1  0
  3  4  1  0
  4  1  1  0
  5  6  1  0
  6  3  2  0
  7  3  1  0
  8  7  2  0
  9  1  1  0
 10  2  1  0
 11 17  1  0
 12  1  2  0
 13  2  2  0
 14  6  1  0
 15  8  1  0
 16 11  1  0
 17 18  1  0
 18  8  1  0
 19  9  2  0
 20 10  2  0
 21 10  1  0
 22  9  1  0
 23 21  2  0
 24 22  2  0
 25 19  1  0
 26 20  1  0
 27 23  1  0
 28 25  2  0
 29 18  1  0
 30 16  1  0
 31 16  1  0
 32 16  1  0
 33 28  1  0
 34 27  1  0
 24 28  1  0
 14 15  2  0
 26 27  2  0
M  END

$$$$
D06SVW
  -OEChem-10101305032D

785796  0     1  0  0  0  0  0999 V2000
   24.6329    6.0087    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.9419    5.0577    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   44.3005   -9.6816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   44.9696   -8.9385    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   50.5295   -9.2349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   51.1986   -8.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0094    5.8270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    2.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3274    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    5.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5842    9.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    5.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7921   10.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    4.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664   11.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7432   10.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4863    9.6885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6668    7.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7279    9.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7494    6.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3336    4.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6394    5.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8105    8.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3020    6.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0004    9.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2439    8.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2220    8.1496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.5661   -4.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.9450    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.3227   -2.9933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.6871    4.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8256    8.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.0835    4.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.5486    1.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.6243   -6.1738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.2645   -1.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3150  -11.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6649   -1.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5046   -5.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9228   -5.4925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8691    2.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9715   13.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5264   -5.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.9552   -6.9169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0254    6.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.4573  -11.3487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.7480   -7.1558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   49.7046   -1.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8471    1.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.5267    1.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.0059  -10.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7382    7.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0278  -10.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.0574   -1.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0613   -2.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.8674  -14.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.2568  -10.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.2642   -7.8680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.1011   -1.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1562    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.1838  -12.9506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0937   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.1694  -10.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5775   -2.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0032   -0.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2654    2.0851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7160    0.7491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.7702   -0.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7332  -11.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6255    3.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.7120    1.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4871    0.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.4686    2.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.4104    4.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5744    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0761    2.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   54.0795    5.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.7779    8.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   59.0214    6.6676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.5126    9.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   58.3522    5.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   60.7197    9.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7036    5.4669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4253    7.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2690   -0.0277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2080   12.0049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6453   10.9756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1316    9.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5689    8.6081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1437   11.8516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2142    8.5570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3027   13.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6085   13.4989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6516    7.5278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0149    7.9108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6403    8.2381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9567    9.5165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5821    9.8438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   52.2790   -3.4091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.3051    2.8900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1783    7.7338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   54.9044   -3.0818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.9013    0.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.0398    4.2569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   49.9626   -4.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.4436    6.3669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.3371   -5.0148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2830   -3.7983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.1666   -0.5869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.5803  -13.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.2072    3.6908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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404785  1  0  0  0  0
M  END

$$$$
D06TFE
  -OEChem-04152122232D

192195  0     1  0  0  0  0  0999 V2000
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 90171  1  0  0  0  0
 90172  1  0  0  0  0
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 94179  1  0  0  0  0
 94180  1  0  0  0  0
 96183  1  0  0  0  0
 96184  1  0  0  0  0
M  END

$$$$
D06TJJ
  -OEChem-04152110112D

 37 41  0     0  0  0  0  0  0999 V2000
    5.2592   -0.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805   -2.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    2.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5984    2.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8773   -0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5682   -1.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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 10 13  1  0  0  0  0
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 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END

$$$$
D06TNG
  -OEChem-10121501232D

 38 39  0     1  0  0  0  0  0999 V2000
    9.1282   -0.1521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.1763    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1282   -2.2004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3237    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3237    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.3237    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -3.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -3.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6249   -3.0645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6315   -1.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.6763    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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  4 22  1  0  0  0  0
  5 25  1  0  0  0  0
  6 25  1  0  0  0  0
  7 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END

$$$$
D06TNL
  -OEChem-10121501152D

 31 31  0     0  0  0  0  0  0999 V2000
    2.0000    1.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  2  0  0  0  0
  5 19  1  0  0  0  0
  5 31  1  0  0  0  0
  6 19  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  2  0  0  0  0
 10 16  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D06TOE
  -OEChem-04152109532D

160166  0     1  0  0  0  0  0999 V2000
   11.6850   10.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225    6.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7701    5.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    4.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    8.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2981    5.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4802    3.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7284    2.0668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0763    2.2581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0432    1.3811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7190    5.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361    4.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0490    3.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2342    7.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9908    3.1512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9189    9.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D06TQZ
  -OEChem-10101305032D

 46 48  0     1  0  0  0  0  0999 V2000
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 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END

$$$$
D06UDG
  -OEChem-10121500162D

 61 63  0     1  0  0  0  0  0999 V2000
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 30 32  2  0  0  0  0
 30 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END

$$$$
D06UDO
  -OEChem-10101305022D

 39 42  0     1  0  0  0  0  0999 V2000
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 20 39  1  0  0  0  0
M  END

$$$$
D06ULU
  -OEChem-04152110442D

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M  END

$$$$
D06UNR
  -OEChem-04152108422D

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    7.7331    0.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  2   4   1   5  -1
M  END

$$$$
D06UVD
  -OEChem-10101305032D

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 80155  1  0  0  0  0
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 82 84  1  0  0  0  0
 82157  1  0  0  0  0
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 83159  1  0  0  0  0
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 87166  1  0  0  0  0
 89 90  2  0  0  0  0
 89 91  1  0  0  0  0
 90167  1  0  0  0  0
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 92168  1  0  0  0  0
 92169  1  0  0  0  0
 93 94  1  0  0  0  0
 93170  1  0  0  0  0
 93171  1  0  0  0  0
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 95175  1  0  0  0  0
 95176  1  0  0  0  0
 95177  1  0  0  0  0
 96178  1  0  0  0  0
 96179  1  0  0  0  0
 96180  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D06VFO
  -OEChem-04152109002D

 45 47  0     1  0  0  0  0  0999 V2000
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    6.3067   -0.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8991    0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1258   -1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7948    1.6838    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    1.9180   -0.7735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6592    0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380   -1.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0914    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670   -0.5712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2948    2.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0728   -0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3106    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0669    0.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7855    1.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 36  1  0  0  0  0
 12  2  1  6  0  0  0
  2 14  1  0  0  0  0
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  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
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 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
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 13 35  1  0  0  0  0
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 15 37  1  0  0  0  0
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 17 38  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D06VNK
  -OEChem-10121500142D

 14 13  0     0  0  0  0  0  0999 V2000
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8705    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END

$$$$
D06WEK
  SciTegic01161211252D

  2  0  0  0  0  0            999 V2000
    4.3042   -4.7875    0.0000 N   0  3
    5.2500   -4.8125    0.0000 Cl  0  5
M  CHG  2   1   1   2  -1
M  END

$$$$
D06WKA
  -OEChem-10101305022D

188192  0     1  0  0  0  0  0999 V2000
   14.8150    4.5690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1369    9.8670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4789    3.8062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2602    6.9999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4701    7.9776    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9715   13.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1920   16.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1327    8.2781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1230   10.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9518   15.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9831    6.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409   13.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2185   10.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7828    3.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3641   12.8987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5443    4.5610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7286    2.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1936   11.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1098    1.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9982    0.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4080    9.7341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2477   10.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0372   11.8186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6968   14.5535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3873   15.4486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3486    5.2197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6203   15.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9293   14.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1489   12.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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104105  1  0  0  0  0
104185  1  0  0  0  0
104186  1  0  0  0  0
104187  1  0  0  0  0
M  END

$$$$
D06WRJ
  -OEChem-04152110082D

 52 54  0     0  0  0  0  0  0999 V2000
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 29 30  3  0  0  0  0
 30 51  1  0  0  0  0
M  END

$$$$
D06WTZ
  -OEChem-10111523542D

 65 67  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D06XAE
          03041000382D 1   1.00000     0.00000     0

 29 31  0     0  0            999 V2000
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 26 28  1  0     0  0
 27 29  1  0     0  0
  8 11  1  0     0  0
  9 10  1  0     0  0
 20 23  2  0     0  0
M  END

$$$$
D06XGW
  -OEChem-04152110102D

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  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END

$$$$
D06XHC
  -OEChem-10121501052D

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 36 71  1  0  0  0  0
M  END

$$$$
D06XMU
  -OEChem-10111523572D

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 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
M  END

$$$$
D06XWB
  -OEChem-04152109242D

 36 38  0     1  0  0  0  0  0999 V2000
    2.0000   -2.8775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616   -1.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9812   -1.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7533   -1.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 29  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  6  0  0  0
  6 13  2  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
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 16 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D06XXH
  -OEChem-10121501342D

 58 61  0     0  0  0  0  0  0999 V2000
   13.2399   -3.5272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9834   -2.5473    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5426   -0.5074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    2.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    1.0064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4603    2.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2746   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2514   -2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1348   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1232   -2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966    0.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2817    0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 49  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 52  1  0  0  0  0
 28 31  1  0  0  0  0
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 29 32  2  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 58  1  0  0  0  0
M  END

$$$$
D06XZR
  -OEChem-10191523012D

 42 45  0     0  0  0  0  0  0999 V2000
    2.3899    2.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037   -2.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6377   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3697   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4047    1.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6272    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0037    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3802    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037   -3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1572    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6177    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
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  2  7  1  0  0  0  0
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  3  4  1  0  0  0  0
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  8 26  1  0  0  0  0
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 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
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 16 19  2  0  0  0  0
 16 37  1  0  0  0  0
 17 20  1  0  0  0  0
 17 38  1  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D06XZW
  -OEChem-10111523542D

 58 61  0     1  0  0  0  0  0999 V2000
   12.5384    1.2210    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.9168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 57  1  0  0  0  0
M  END

$$$$
D06YFA
  -OEChem-10121500122D

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M  END

$$$$
D06YHL
  -OEChem-10101305032D

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    6.1808   -0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5932   -0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988   -1.6899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2653   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9710   -2.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5261   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9374   -1.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1982   -0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1311   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6821   -1.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7363   -2.1292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4755   -3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6543    0.3877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7974   -0.7601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0677   -0.5392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 25  1  0  0  0  0
  3 16  2  0  0  0  0
  4 22  1  0  0  0  0
  4 40  1  0  0  0  0
  5 21  2  0  0  0  0
  6 22  2  0  0  0  0
 23  7  1  1  0  0  0
  7 41  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 15  9  1  1  0  0  0
  9 21  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  2  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  6  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 42  1  0  0  0  0
 27 29  2  0  0  0  0
 27 43  1  0  0  0  0
 28 30  2  0  0  0  0
 28 44  1  0  0  0  0
 29 30  1  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  END

$$$$
D06YPU
          06291100062D 1   1.00000     0.00000     0

 15 15  0     1  0            999 V2000
    1.1583   -6.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7750   -6.5833    0.0000 C   0  0  2  0  0  0           0  0  0
    4.2250   -5.1583    0.0000 C   0  0  3  0  0  0           0  0  0
    3.6125   -5.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3875   -6.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1625   -5.5208    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0000   -5.1625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6125   -6.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3875   -5.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0000   -6.5833    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5458   -6.5833    0.0000 O   0  0  0  0  0  0           0  0  0
    3.8708   -4.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8375   -5.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5833   -4.5458    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7750   -7.2917    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  4  1  0     0  0
  4  8  1  0     0  0
  5  2  1  0     0  0
  6  1  2  0     0  0
  7  9  1  0     0  0
  8 10  2  0     0  0
  9  5  2  0     0  0
 10  5  1  0     0  0
 11  1  1  0     0  0
 12  3  1  0     0  0
 13  3  1  0     0  0
 14  3  1  0     0  0
  2 15  1  6     0  0
  7  4  2  0     0  0
M  END

$$$$
D06YYD
  -OEChem-10101305032D

 39 41  0     1  0  0  0  0  0999 V2000
    6.2619   -0.4330    0.0000 S   0  0  2  0  0  0  0  0  0  0  0  0
   11.7619    2.1651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279    0.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959    1.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.3717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3819   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6542   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3445    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  6  0  0  0
  1 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 16  1  0  0  0  0
  5 24  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END

$$$$
D06ZAY
  -OEChem-10101305022D

 18 18  0     0  0  0  0  0  0999 V2000
    4.5981    3.7500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  3  0  0  0  0
M  END

$$$$
D06ZEE
  -OEChem-10101305032D

 45 48  0     0  0  0  0  0  0999 V2000
    2.0000   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 45  1  0  0  0  0
M  END

$$$$
D06ZEO
  -OEChem-04152122312D

 47 50  0     0  0  0  0  0  0999 V2000
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 31 45  1  0  0  0  0
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 31 47  1  0  0  0  0
M  END

$$$$
D06ZII
  -OEChem-10121501342D

 44 47  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D06ZPS
  -OEChem-04152122242D

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 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D06ZUK
  -OEChem-10121500132D

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M  END

$$$$
D06ZUP
  -OEChem-04152109142D

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 49 52  1  6  0  0  0
 49106  1  0  0  0  0
 50110  1  0  0  0  0
 50111  1  0  0  0  0
 50112  1  0  0  0  0
 51113  1  0  0  0  0
 51114  1  0  0  0  0
 51115  1  0  0  0  0
 52117  1  0  0  0  0
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 52119  1  0  0  0  0
 53 57  1  0  0  0  0
 53120  1  0  0  0  0
 53121  1  0  0  0  0
 54122  1  0  0  0  0
 54123  1  0  0  0  0
 54124  1  0  0  0  0
 55125  1  0  0  0  0
 55126  1  0  0  0  0
 55127  1  0  0  0  0
 56129  1  0  0  0  0
 56130  1  0  0  0  0
 56131  1  0  0  0  0
 57132  1  0  0  0  0
 57133  1  0  0  0  0
 58134  1  0  0  0  0
 58135  1  0  0  0  0
 58136  1  0  0  0  0
M  END

$$$$
D06ZVG
  -OEChem-08301509482D

  5  4  0     0  0  0  0  0  0999 V2000
    2.5369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END

$$$$
D06ZYM
  -OEChem-04152111272D

 52 53  0     1  0  0  0  0  0999 V2000
    6.3301    3.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3301    3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6401   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
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  5 11  2  0  0  0  0
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  6 14  2  0  0  0  0
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  7 16  2  0  0  0  0
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  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  2  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  1  0  0  0  0
 16 44  1  0  0  0  0
 17 20  2  0  0  0  0
 17 45  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D07AAN
  -OEChem-04152108412D

  2  0  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1  -1   2   1
M  ISO  1   1 123
M  END

$$$$
D07ABV
  -OEChem-04152110072D

 93 99  0     1  0  0  0  0  0999 V2000
    3.4403   -3.4055    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -6.4055    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6300    5.3874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8721    4.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4446    1.0688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3467    1.6868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4599    3.8739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7689    2.9229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 51 92  1  0  0  0  0
M  END

$$$$
D07ACT
  -OEChem-10121500362D

 54 57  0     1  0  0  0  0  0999 V2000
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   14.6395   -0.3531    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6421    1.3887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  1  0  0  0  0
 36 50  1  0  0  0  0
 36 51  1  0  0  0  0
 36 52  1  0  0  0  0
M  END

$$$$
D07AHW
  -OEChem-10191522532D

 20 20  0     1  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 11 12  1  0  0  0  0
M  END

$$$$
D07BCT
  -OEChem-04152110042D

 69 71  0     1  0  0  0  0  0999 V2000
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    5.1350    2.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3671    1.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15  1  1  6  0  0  0
 21  1  1  6  0  0  0
 16  2  1  6  0  0  0
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 17  3  1  1  0  0  0
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 23  6  1  6  0  0  0
  6 64  1  0  0  0  0
 26  7  1  6  0  0  0
  7 65  1  0  0  0  0
 29  8  1  6  0  0  0
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 18 10  1  1  0  0  0
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 29 53  1  0  0  0  0
 30 32  1  1  0  0  0
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 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
M  END

$$$$
D07BPO
          04301000582D 1   1.00000     0.00000     0

 16 16  0     0  0            999 V2000
   -2.5862    0.1862    0.0000 C   0  0  0  0  0  0           0  0  0
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   -3.4379   -0.0862    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5862    1.0897    0.0000 N   0  0  0  0  0  0           0  0  0
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  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  2  0     0  0
  5  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  9 11  2  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
  6  7  1  0     0  0
M  END

$$$$
D07BPS
  -OEChem-10121501242D

 30 31  0     1  0  0  0  0  0999 V2000
    5.5116    2.1470    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 13  1  0  0  0  0
  2 30  1  0  0  0  0
  3 13  2  0  0  0  0
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 14 15  1  0  0  0  0
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 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D07BSE
  -OEChem-10101305022D

 98100  0     1  0  0  0  0  0999 V2000
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   10.9292    5.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5273    7.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3933    5.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 54 96  1  0  0  0  0
 54 97  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D07BSQ
  -OEChem-10111523452D

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 23 53  1  0  0  0  0
M  END

$$$$
D07BYK
  -OEChem-10101305032D

 33 34  0     0  0  0  0  0  0999 V2000
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    9.5769    2.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9098    3.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 31  1  0  0  0  0
  2 12  1  0  0  0  0
  2 30  1  0  0  0  0
  3 17  2  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  5 29  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 18  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D07CEI
  -OEChem-04152122252D

  6  4  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
M  CHG  3   1   2   3  -1   4  -1
M  END

$$$$
D07CNL
  -OEChem-10101305032D

 53 53  0     1  0  0  0  0  0999 V2000
    4.6787    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    4.0010    7.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8380   11.1074    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.3158    9.1589    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5746   10.1248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1477    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4065    9.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7806    7.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9716    9.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425   12.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9244   11.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0958    8.3379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7946   10.9459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9357    7.8175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7390    8.2136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9978    9.1796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6186    9.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4429    7.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2414    7.5009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693    9.9285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519    9.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471    8.6602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5591   12.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073   12.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259   12.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1766   12.0806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580   11.7664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6722   10.9478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.9425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    4.7399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    7.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    7.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    5.4302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    5.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    5.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    5.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    4.7148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    3.8225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.2025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    3.8225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    7.3594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    6.2856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  6  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 19  1  0  0  0  0
 16 40  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D07CPU
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    5.1350    2.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3933   -1.7671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -1.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5254   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -2.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -1.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368    1.0966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -1.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   -2.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5355    0.3562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232   -2.0683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353   -0.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5230   -2.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 18  1  0  0  0  0
  2 36  1  0  0  0  0
  3 18  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5 21  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D07CWD
  -OEChem-10121500592D

  9  8  0     0  0  0  0  0  0999 V2000
    5.1350   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END

$$$$
D07DCG
  -OEChem-03101900402D

 63 67  0     1  0  0  0  0  0999 V2000
   10.4157   -0.0588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5519    3.7514    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1686    4.0454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1718   -4.0454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5171    1.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661    0.8964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -0.0817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113    0.8453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -0.7509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344   -3.0162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192    1.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2579    2.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8746    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7133    3.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -0.3908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0524   -0.4419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2603    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -0.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955   -1.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8934   -1.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465   -0.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876   -2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6365   -2.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4897   -1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 39  2  0  0  0  0
 38 61  1  0  0  0  0
 39 62  1  0  0  0  0
 40 63  1  0  0  0  0
M  END

$$$$
D07DIM
  -OEChem-04152110062D

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 40 78  1  0  0  0  0
 41 79  1  0  0  0  0
 41 80  1  0  0  0  0
 41 81  1  0  0  0  0
M  END

$$$$
D07DJQ
  -OEChem-04152109312D

 75 79  0     1  0  0  0  0  0999 V2000
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   12.1976   -0.8132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 12  1  6  0  0  0
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 29 31  1  0  0  0  0
 29 63  1  0  0  0  0
 30 31  2  0  0  0  0
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 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 35 75  1  0  0  0  0
M  END

$$$$
D07DPI
  -OEChem-10101305022D

 21 21  0     0  0  0  0  0  0999 V2000
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    2.0000   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

$$$$
D07DSQ
  -OEChem-04152108492D

158163  0     1  0  0  0  0  0999 V2000
    5.7331    7.8261    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    8.3261    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0632    8.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    9.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3933    4.8261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D07DVK
  -OEChem-04152109532D

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 21 26  1  0  0  0  0
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 23 48  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D07EDB
  -OEChem-03141904542D

 54 57  0     1  0  0  0  0  0999 V2000
    6.9334    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8240   -5.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 19  1  0  0  0  0
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  3 24  1  0  0  0  0
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  4 15  1  0  0  0  0
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 25 30  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 51  1  0  0  0  0
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 28 53  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D07ESC
  -OEChem-10121501312D

 56 58  0     1  0  0  0  0  0999 V2000
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    2.0000    2.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 43  1  0  0  0  0
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 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 46  1  0  0  0  0
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 30 48  1  0  0  0  0
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 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
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 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D07EXH
          12251000062D 1   1.00000     0.00000     0

  9  9  0     0  0            999 V2000
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    1.0292   -0.8875    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.8000   -1.2375    0.0000 O   0  0  0  0  0  0           0  0  0
  2  6  1  0     0  0
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  8  2  1  0     0  0
  9  1  1  0     0  0
  3  5  1  0     0  0
M  END

$$$$
D07FEC
  -OEChem-04152122322D

217218  0     1  0  0  0  0  0999 V2000
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112211  1  0  0  0  0
M  END

$$$$
D07FKQ
  -OEChem-04152110332D

 72 75  0     0  0  0  0  0  0999 V2000
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   15.3491   -2.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
M  END

$$$$
D07FTD
  -OEChem-04152122252D

  7  4  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
M  CHG  4   2   1   3   1   5  -1   6  -1
M  END

$$$$
D07FUJ
  -OEChem-04152108442D

 37 38  0     0  0  0  0  0  0999 V2000
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    7.2901   -2.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793    1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829   -0.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829   -3.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -3.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    0.5176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319   -0.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1272    2.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    2.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.9476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  2  0  0  0  0
  6 27  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 19  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 20  2  0  0  0  0
 14 28  1  0  0  0  0
 15 21  2  0  0  0  0
 15 29  1  0  0  0  0
 16 24  2  0  0  0  0
 16 27  1  0  0  0  0
 17 22  2  0  0  0  0
 17 30  1  0  0  0  0
 18 23  1  0  0  0  0
 18 31  1  0  0  0  0
 19 25  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 24 26  1  0  0  0  0
 24 35  1  0  0  0  0
 25 26  2  0  0  0  0
 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  CHG  4   1   1   2   1   4  -1   6  -1
M  END

$$$$
D07GNP
          06161000062D 1   1.00000     0.00000     0

 32 32  0     0  0            999 V2000
    5.3667   -1.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7542   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1417   -1.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7542   -1.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3667   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1417   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9875   -1.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7542   -3.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6000   -1.9542    0.0000 N   0  0  3  0  0  0           0  0  0
    3.5250   -1.6000    0.0000 N   0  0  0  0  0  0           0  0  0
    5.3667   -4.0792    0.0000 N   0  0  0  0  0  0           0  0  0
    2.9125   -1.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9875   -0.8917    0.0000 O   0  0  0  0  0  0           0  0  0
    7.2125   -1.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1417   -4.0792    0.0000 O   0  0  0  0  0  0           0  0  0
    5.9875   -3.0125    0.0000 I   0  0  0  0  0  0           0  0  0
    4.7542   -0.8792    0.0000 I   0  0  0  0  0  0           0  0  0
    3.5250   -3.0125    0.0000 I   0  0  0  0  0  0           0  0  0
    2.9125   -2.6625    0.0000 O   0  0  0  0  0  0           0  0  0
    7.8250   -1.9542    0.0000 C   0  0  3  0  0  0           0  0  0
    5.9792   -3.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5917   -4.0792    0.0000 C   0  0  3  0  0  0           0  0  0
    7.8250   -2.6625    0.0000 O   0  0  0  0  0  0           0  0  0
    6.5917   -4.7917    0.0000 O   0  0  0  0  0  0           0  0  0
    6.5917   -2.6625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3000   -1.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8250   -4.0792    0.0000 O   0  0  0  0  0  0           0  0  0
    9.0542   -1.9542    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6875   -1.9542    0.0000 O   0  0  0  0  0  0           0  0  0
    8.4417   -1.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2042   -3.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0667   -1.6042    0.0000 C   0  0  0  0  0  0           0  0  0
  2  5  1  0     0  0
  3  4  2  0     0  0
  4  1  1  0     0  0
  5  1  2  0     0  0
  6  2  2  0     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
  9  7  1  0     0  0
 10  3  1  0     0  0
 11  8  1  0     0  0
 12 10  1  0     0  0
 13  7  2  0     0  0
 14  9  1  0     0  0
 15  8  2  0     0  0
 16  5  1  0     0  0
 17  4  1  0     0  0
 18  6  1  0     0  0
 19 12  2  0     0  0
 20 14  1  0     0  0
 21 11  1  0     0  0
 22 21  1  0     0  0
 23 20  1  0     0  0
 24 22  1  0     0  0
 25  9  1  0     0  0
 26 12  1  0     0  0
 27 31  1  0     0  0
 28 30  1  0     0  0
 29 26  1  0     0  0
 30 20  1  0     0  0
 31 22  1  0     0  0
 32 29  1  0     0  0
  3  6  1  0     0  0
M  END

$$$$
D07GRH
  -OEChem-10101305022D

 32 33  0     0  0  0  0  0  0999 V2000
    5.4641   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 32  1  0  0  0  0
  2 13  2  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D07GTW
  -OEChem-04152110152D

 38 41  0     1  0  0  0  0  0999 V2000
    3.3121    0.1522    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.9781   -1.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    0.6661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4781    1.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4781    1.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3121   -0.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    0.1561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8154    1.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5637    1.7091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381    0.6661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381   -1.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5753   -1.4463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5191    0.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3832   -1.4144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8441    0.1314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9781    0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1121    0.1314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1121   -0.8686    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8441   -0.8686    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2181   -1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6441    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6441   -0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5753    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5191   -0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8376    0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1186    0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1186   -1.7185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8376   -1.7185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245   -1.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6227   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7309   -2.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8581    1.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1681    2.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0548    0.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3808   -2.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9213   -1.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  1  0  0  0  0
  4 33  1  0  0  0  0
  5 16  1  0  0  0  0
  5 34  1  0  0  0  0
  6 20  1  0  0  0  0
  7 36  1  0  0  0  0
  9 23  2  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
 10 31  1  0  0  0  0
 11 19  1  0  0  0  0
 11 22  1  0  0  0  0
 11 32  1  0  0  0  0
 12 22  1  0  0  0  0
 12 24  2  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 35  1  0  0  0  0
 14 24  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  1  0  0  0
 18 20  1  0  0  0  0
 18 27  1  1  0  0  0
 19 28  1  1  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END

$$$$
D07GXR
  -OEChem-04152122322D

 66 71  0     1  0  0  0  0  0999 V2000
    7.3540    5.9326    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866    6.2934    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6259    4.9259    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -4.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    2.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5100    0.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4966    3.6972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0341   -5.5086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0066    1.1011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5688   -1.5370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7191   -6.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5341   -3.9698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0000    2.8254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7251   -3.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3432   -3.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4966    3.6934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5033    1.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5033    1.9652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 39 40  1  0  0  0  0
 39 65  1  0  0  0  0
 40 66  1  0  0  0  0
M  END

$$$$
D07HBX
  -OEChem-10191522532D

 16 16  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D07HGR
  -OEChem-10121500492D

 60 61  0     1  0  0  0  0  0999 V2000
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 13  7  1  1  0  0  0
 16  7  1  1  0  0  0
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 29 60  1  0  0  0  0
M  END

$$$$
D07HOB
  -OEChem-10121500592D

 81 87  0     1  0  0  0  0  0999 V2000
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 40 41  2  0  0  0  0
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 42 77  1  0  0  0  0
 43 79  1  0  0  0  0
 43 80  1  0  0  0  0
 43 81  1  0  0  0  0
M  END

$$$$
D07HOF
  -OEChem-08301509492D

 40 42  0     1  0  0  0  0  0999 V2000
    9.2365    1.0026    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715   -1.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8764   -2.3097    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.5236   -1.7744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442    0.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5715    1.4062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854    0.6935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8242    0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365   -0.6155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6333    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  7  1  1  0  0  0
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 21 38  1  0  0  0  0
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 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  CHG  1   3  -1
M  END

$$$$
D07HQC
  -OEChem-04152122242D

 34 35  0     1  0  0  0  0  0999 V2000
    3.7320    0.3450    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D07HVY
  -OEChem-10101305032D

 30 32  0     1  0  0  0  0  0999 V2000
    7.2622    0.4649    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -1.2430    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.1230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2430    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -3.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -2.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7320   -1.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6332   -2.2695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215   -3.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4441   -3.6916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4966   -3.0840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4966   -2.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -0.1656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    3.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.3219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6 19  2  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  6  0  0  0
 11 16  1  0  0  0  0
 12 14  3  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 27  1  0  0  0  0
 18 21  2  0  0  0  0
 18 29  1  0  0  0  0
 20 21  1  0  0  0  0
 21 30  1  0  0  0  0
M  END

$$$$
D07HZY
  SciTegic01161211232D

 10 10  0  0  0  0            999 V2000
   -5.3846    1.0607    0.0000 C   0  0
   -6.0991    1.4732    0.0000 O   0  0
   -6.8136    1.0607    0.0000 C   0  0
   -6.8136    0.2357    0.0000 C   0  0  2  0  0  0
   -6.0991   -0.1768    0.0000 C   0  0  1  0  0  0
   -5.3846    0.2357    0.0000 C   0  0  1  0  0  0
   -7.5281   -0.1768    0.0000 O   0  0
   -4.6701    1.4732    0.0000 O   0  0
   -4.6702   -0.1768    0.0000 O   0  0
   -6.0991   -1.0018    0.0000 O   0  0
  1  2  1  0
  6  1  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  6
  1  8  1  0
  6  9  1  6
  5 10  1  1
M  END

$$$$
D07IEF
          11090500242D 1   1.00000     0.00000     0

 27 29  0     0  0            999 V2000
    4.9167  -10.0167    0.0000 C   0  0  3  0  0  0           0  0  0
    1.8542  -11.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9917  -11.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5375   -8.9417    0.0000 N   0  0  0  0  0  0           0  0  0
    4.3042  -10.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5375  -10.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9167   -9.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3750  -11.4292    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4667  -11.4292    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8542  -10.3667    0.0000 O   0  0  0  0  0  0           0  0  0
    7.9917  -10.3667    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5375  -11.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1500  -10.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3042  -11.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6917  -10.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7625  -11.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0792  -11.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7625  -10.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0792  -10.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1500  -11.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6917  -11.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5375   -8.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6042  -11.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2417  -11.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3042   -8.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9167   -7.8792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3042   -8.2417    0.0000 C   0  0  0  0  0  0           0  0  0
  2  9  1  0     0  0
  3  8  1  0     0  0
  4  7  1  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  8 16  1  0     0  0
  9 17  1  0     0  0
 10  2  2  0     0  0
 11  3  2  0     0  0
 12  6  1  0     0  0
 13  6  2  0     0  0
 14  5  2  0     0  0
 15  5  1  0     0  0
 16 18  2  0     0  0
 17 19  1  0     0  0
 18 13  1  0     0  0
 19 15  2  0     0  0
 20 12  2  0     0  0
 21 14  1  0     0  0
 22  4  2  0     0  0
 23  3  1  0     0  0
 24  2  1  0     0  0
 25  7  2  0     0  0
 26 27  2  0     0  0
 27 25  1  0     0  0
 16 20  1  0     0  0
 21 17  2  0     0  0
 26 22  1  0     0  0
M  END

$$$$
D07ILQ
  -OEChem-10101305032D

 58 57  0     0  0  0  0  0  0999 V2000
   14.9904   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9870    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1899    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 21  1  0  0  0  0
  2 58  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 53  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 17  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
M  END

$$$$
D07INV
  -OEChem-10121500582D

 26 27  0     0  0  0  0  0  0999 V2000
    8.8600    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8600    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    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  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
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 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D07IPB
  -OEChem-04152108462D

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M  END

$$$$
D07IQS
  -OEChem-10101305022D

103105  0     1  0  0  0  0  0999 V2000
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 50 51  1  0  0  0  0
 50102  1  0  0  0  0
 51103  1  0  0  0  0
M  END

$$$$
D07IRF
  -OEChem-10121501412D

 46 49  0     1  0  0  0  0  0999 V2000
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 26 46  1  0  0  0  0
M  END

$$$$
D07IRG
          01280518002D 1   1.00000     0.00000     0

 56 51  0     0  0            999 V2000
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 53 19  1  0     0  0
 54 21  1  0     0  0
 55 20  1  0     0  0
 56 22  1  0     0  0
M  END

$$$$
D07JAG
  -OEChem-04152111262D

 46 49  0     1  0  0  0  0  0999 V2000
    2.0000   -4.1496    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -4.6542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045   -2.8285    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6514   -2.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -0.9353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    2.2601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6614    2.0930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9285   -2.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    4.2601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2461    4.0648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050    0.6468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5997    0.5440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1998   -0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8093   -0.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1035    1.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2675    1.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   -1.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1035    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2563    1.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9244    2.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1923    2.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1923    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9244    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2461    2.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -3.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    3.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9128   -3.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2937    1.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624    0.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8363   -0.7697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   -0.9998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3986   -0.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6857    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948    2.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1024    2.1302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835    1.5092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046    0.8902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5663    0.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4263   -1.9748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4613    4.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535    1.8661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767   -3.9343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441   -3.2887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535    4.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0425    3.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 27  1  0  0  0  0
  3 27  1  0  0  0  0
  4 17  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  2  0  0  0  0
  8 17  1  0  0  0  0
  8 25  1  0  0  0  0
  8 40  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  2  0  0  0  0
 10 22  1  0  0  0  0
 10 26  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  1  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  6  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 18  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 19  2  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 27  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 46  1  0  0  0  0
M  END

$$$$
D07JGT
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    5.1350    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.7847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531   -1.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2009   -1.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9772   -0.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 16  1  0  0  0  0
  2 29  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D07JHH
  -OEChem-04152109532D

 54 57  0     1  0  0  0  0  0999 V2000
   10.5194   -2.0023    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    1.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -1.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    2.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -0.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    2.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075    2.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5194    2.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1854   -1.9592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    0.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -0.4246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0678    0.5754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9338   -0.9246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7998   -0.4246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1738   -0.9593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7998    0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6938   -0.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678    0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6938    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5998   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5998    0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3252   -2.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0572   -2.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -1.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037    1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5310   -1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5310    1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748    0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8039    0.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3969   -1.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933   -1.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149   -1.2620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6693    2.0503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4707   -2.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090   -1.9359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7919   -2.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414   -3.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7534   -2.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976   -2.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3609   -1.9087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -2.2630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155   -2.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2334    2.1683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155    2.4261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105   -0.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105    0.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334   -0.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    2.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
 13  2  1  6  0  0  0
  2 38  1  0  0  0  0
 14  3  1  6  0  0  0
  3 39  1  0  0  0  0
  4 19  1  0  0  0  0
  4 48  1  0  0  0  0
  5 18  2  0  0  0  0
  6 20  2  0  0  0  0
  7 23  1  0  0  0  0
  7 49  1  0  0  0  0
  8 29  2  0  0  0  0
  9 31  1  0  0  0  0
  9 54  1  0  0  0  0
 16 10  1  6  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 29  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  6  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 15 36  1  6  0  0  0
 16 20  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 28  2  0  0  0  0
 22 29  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  2  0  0  0  0
 25 31  2  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  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
M  END

$$$$
D07JJS
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    3.0000    0.3470    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    2.8415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    1.4403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    2.1834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    3.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 16  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D07JPC
  -OEChem-10121501282D

 82 84  0     1  0  0  0  0  0999 V2000
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   10.3312    1.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17  1  1  6  0  0  0
 23  1  1  6  0  0  0
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 20  3  1  1  0  0  0
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 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 29 34  1  1  0  0  0
 29 55  1  0  0  0  0
 30 32  1  0  0  0  0
 30 57  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 35  1  1  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 36  1  0  0  0  0
 34 62  1  0  0  0  0
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 35 66  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 38 79  1  0  0  0  0
 38 80  1  0  0  0  0
M  END

$$$$
D07JVL
  -OEChem-10121500092D

 33 35  0     0  0  0  0  0  0999 V2000
    7.0444    0.0492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D07JVS
  -OEChem-10101305022D

 47 47  0     1  0  0  0  0  0999 V2000
   11.1972    1.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 23 25  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D07JWT
  -OEChem-04152109302D

 49 52  0     0  0  0  0  0  0999 V2000
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 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END

$$$$
D07JZF
  -OEChem-10101305022D

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  6 59  1  0  0  0  0
  7 24  1  0  0  0  0
  7 31  1  0  0  0  0
 14  8  1  6  0  0  0
  8 25  1  0  0  0  0
  8 44  1  0  0  0  0
 17  9  1  6  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 20 10  1  6  0  0  0
 10 30  1  0  0  0  0
 10 56  1  0  0  0  0
 27 11  1  1  0  0  0
 11 69  1  0  0  0  0
 11 70  1  0  0  0  0
 12 33  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 18  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 46  1  0  0  0  0
 24 27  1  0  0  0  0
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 25 29  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 57  1  0  0  0  0
 28 32  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 68  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
M  END

$$$$
D07KHH
  -OEChem-10101305022D

 64 67  0     1  0  0  0  0  0999 V2000
    8.4762    7.1869    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.4175   11.4257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7901   13.5393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6088   10.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3584    3.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358   10.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1265   11.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    6.8427    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    2.4840    8.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298    5.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2938    6.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    9.1573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5526    7.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2297    6.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    5.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101    5.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9017   10.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3530   13.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1336    2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8067    1.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   12.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3006   14.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788   11.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3347   14.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5478    0.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5819    0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7278    7.1887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793    9.1972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9411    8.3578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0817    5.5013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8851    5.8975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928    5.5327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0398    5.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9700    9.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1439    6.8634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7646    7.6324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591    7.2666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820    6.4182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6411    6.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 22  1  0  0  0  0
  2 30  1  0  0  0  0
  3 21  1  0  0  0  0
  3 31  1  0  0  0  0
 13  4  1  6  0  0  0
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 10 13  1  0  0  0  0
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 13 42  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
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 18 51  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 25  2  0  0  0  0
 22 24  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 54  1  0  0  0  0
 25 29  1  0  0  0  0
 25 55  1  0  0  0  0
 26 32  1  0  0  0  0
 26 56  1  0  0  0  0
 27 33  2  0  0  0  0
 27 57  1  0  0  0  0
 28 30  2  0  0  0  0
 28 58  1  0  0  0  0
 29 31  2  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 34  2  0  0  0  0
 32 62  1  0  0  0  0
 33 34  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  CHG  2   1  -1   8   1
M  END

$$$$
D07KSG
  -OEChem-10111523212D

 57 59  0     0  0  0  0  0  0999 V2000
    5.4641   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  2 19  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  2  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 21  1  0  0  0  0
 15 38  1  0  0  0  0
 16 22  2  0  0  0  0
 16 39  1  0  0  0  0
 17 23  1  0  0  0  0
 17 42  1  0  0  0  0
 18 24  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 25  2  0  0  0  0
 21 46  1  0  0  0  0
 22 25  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  2  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 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END

$$$$
D07LCF
  -OEChem-10121501402D

 99103  0     1  0  0  0  0  0999 V2000
   11.7577    7.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6824    6.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    5.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   10.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.0378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D07MCK
  -OEChem-04152110102D

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M  END

$$$$
D07MEH
  -OEChem-10101305022D

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  4 17  1  0  0  0  0
  4 22  1  0  0  0  0
  5 18  1  0  0  0  0
  5 39  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  1  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 38  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D07MGA
  -OEChem-10101305032D

 36 38  0     1  0  0  0  0  0999 V2000
    7.1962    0.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -2.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    0.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2296    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1181   -1.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    0.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -1.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779   -3.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2644   -0.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3 15  1  0  0  0  0
  3 31  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 17  1  0  0  0  0
  5 32  1  0  0  0  0
  6 19  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 20  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D07MOX
  -OEChem-10191522522D

 23 23  0     1  0  0  0  0  0999 V2000
    3.4030    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
M  END

$$$$
D07MUN
  -OEChem-04152108412D

 23 23  0     0  0  0  0  0  0999 V2000
    2.5369   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269   -1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 21  1  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

$$$$
D07MVK
  -OEChem-10101305022D

 63 65  0     1  0  0  0  0  0999 V2000
    9.0304    2.2122    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    5.2846    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2429    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3608    1.8754    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674    3.6036    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -0.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263   -2.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942   -0.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1263   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923   -3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    2.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7243   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923   -4.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342    0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282    2.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782    3.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282    1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8583   -5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    4.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1783    3.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6497   -1.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0482   -2.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8708   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3942   -1.1346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3908   -1.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938   -1.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5157   -3.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142   -3.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6029   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2044   -3.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4598   -2.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2568   -2.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7972    0.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1229   -1.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3258   -1.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6414    0.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3953   -5.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2804   -2.8216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9004   -1.7477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
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  3 33  1  0  0  0  0
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  5 33  1  0  0  0  0
  6 10  1  0  0  0  0
  6 54  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
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 10 13  1  0  0  0  0
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 18 47  1  0  0  0  0
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 20 28  1  0  0  0  0
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 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
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 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
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 25 27  1  0  0  0  0
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 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 32  2  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  1  0  0  0  0
 32 63  1  0  0  0  0
M  END

$$$$
D07NAJ
  -OEChem-10121501122D

 37 37  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9501    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7101    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
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  9 25  1  0  0  0  0
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 10 30  1  0  0  0  0
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 10 32  1  0  0  0  0
 11 27  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D07NCN
  -OEChem-10101305032D

 33 35  0     0  0  0  0  0  0999 V2000
    7.2418    2.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754    0.8539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5443   -1.2419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
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 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
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 16 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D07NGZ
  -OEChem-04152111322D

827838  0     1  0  0  0  0  0999 V2000
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   24.1075   -5.2797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.0222   18.8550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.0004   19.0629    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.5236   24.0261    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.5018   24.2340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.3076  -20.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0632  -19.7743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6960  -19.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4651  -17.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9039  -20.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331  -16.7743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8549  -20.8952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010  -17.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4571  -26.8152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5981  -20.2261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.3902  -19.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5096  -15.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   33.6871   24.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4092   -2.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8453   -2.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7788   17.2802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9469    4.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1755   10.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9613    6.9071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2439   20.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8665    9.9681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7065    7.1726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   31.1638   19.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.4335   14.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0666    5.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4479   16.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0417    1.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8767   18.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7400   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1389   15.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3676   21.6196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2586   16.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5747   21.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8423   -6.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2368   16.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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401409  2  0  0  0  0
402405  1  0  0  0  0
402408  1  0  0  0  0
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417815  1  0  0  0  0
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421423  2  0  0  0  0
421825  1  0  0  0  0
422423  1  0  0  0  0
422826  1  0  0  0  0
423827  1  0  0  0  0
M  END

$$$$
D07NJI
  -OEChem-10101305022D

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 29 36  1  6  0  0  0
 29 39  1  0  0  0  0
 29 65  1  0  0  0  0
 30 31  2  0  0  0  0
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 30 37  1  0  0  0  0
 31 34  1  0  0  0  0
 31 38  1  0  0  0  0
 32 66  1  0  0  0  0
 33 34  2  0  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 36 74  1  0  0  0  0
 37 41  2  0  0  0  0
 37 75  1  0  0  0  0
 38 40  2  0  0  0  0
 38 76  1  0  0  0  0
 40 41  1  0  0  0  0
 41 77  1  0  0  0  0
 42 78  1  0  0  0  0
 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 83  1  0  0  0  0
 43 84  1  0  0  0  0
 44 46  1  0  0  0  0
 44 81  1  0  0  0  0
 44 82  1  0  0  0  0
M  CHG  2   2   1   6  -1
M  END

$$$$
D07NSU
  -OEChem-04152109052D

 25 25  0     1  0  0  0  0  0999 V2000
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    1.9264    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5380   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  7  2  1  1  0  0  0
  2 22  1  0  0  0  0
  8  3  1  6  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  9  6  1  6  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  1  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

$$$$
D07NVU
  -OEChem-10111523082D

 73 81  0     1  0  0  0  0  0999 V2000
    7.9672    2.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7324   -1.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6813   -0.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5934    1.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8555   -0.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8555    1.2882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    0.2480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0443   -1.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4894    0.9222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7847   -0.1225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2306    1.8881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0076    0.5069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3660    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8555   -0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3555    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3623   -1.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4039   -1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5041    1.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0988   -2.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9370   -0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3984    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7670   -2.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6532   -3.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4795    3.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3860    2.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4095   -2.6661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5979   -2.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684   -1.5861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0511    3.2338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0902   -3.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9378    1.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5813   -2.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6433   -4.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4649    4.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9179    3.3013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2572    1.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.0182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
 10  2  1  6  0  0  0
  2 33  1  0  0  0  0
  3 27  2  0  0  0  0
  4 32  2  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
 12  7  1  6  0  0  0
  7 30  1  0  0  0  0
  7 32  1  0  0  0  0
  8 25  1  0  0  0  0
  8 27  1  0  0  0  0
  8 61  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  1  0  0  0
 10 12  1  0  0  0  0
 10 44  1  0  0  0  0
 11 13  1  0  0  0  0
 11 45  1  6  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 18 21  1  0  0  0  0
 18 26  2  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 24  1  0  0  0  0
 20 28  2  0  0  0  0
 21 29  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 27  1  0  0  0  0
 24 31  2  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 34  1  0  0  0  0
 26 54  1  0  0  0  0
 28 36  1  0  0  0  0
 28 55  1  0  0  0  0
 29 35  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 37  1  0  0  0  0
 31 60  1  0  0  0  0
 32 38  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 35  2  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 37  2  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 69  1  0  0  0  0
 40 42  2  0  0  0  0
 40 70  1  0  0  0  0
 41 43  2  0  0  0  0
 41 71  1  0  0  0  0
 42 43  1  0  0  0  0
 42 72  1  0  0  0  0
 43 73  1  0  0  0  0
M  END

$$$$
D07OHO
          01210517092D 1   1.00000     0.00000     0

 31 33  0     0  0            999 V2000
    5.1500   -1.5000    0.0000 S   0  0  3  0  0  0           0  0  0
    5.7625   -1.8542    0.0000 N   0  0  3  0  0  0           0  0  0
    5.7625   -2.5625    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1500   -2.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3750   -2.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5292   -1.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5292   -2.5625    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9875   -2.5625    0.0000 N   0  0  0  0  0  0           0  0  0
    3.3042   -3.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9167   -3.6250    0.0000 O   0  0  0  0  0  0           0  0  0
    5.4917   -0.8792    0.0000 O   0  0  0  0  0  0           0  0  0
    4.7875   -0.8792    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1500   -3.6250    0.0000 O   0  0  0  0  0  0           0  0  0
    7.6000   -2.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5292   -3.9792    0.0000 C   0  0  3  0  0  0           0  0  0
    6.3750   -3.6250    0.0000 O   0  0  0  0  0  0           0  0  0
    7.6000   -3.6250    0.0000 N   0  0  0  0  0  0           0  0  0
    3.3042   -4.6875    0.0000 O   0  0  0  0  0  0           0  0  0
    6.3750   -1.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6917   -3.6250    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9167   -2.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9167   -1.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2167   -3.9792    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.8292   -2.9167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  7  1  0     0  0
  5  3  1  0     0  0
  6  1  1  0     0  0
  7  6  2  0     0  0
  8  5  1  0     0  0
  9 10  1  0     0  0
 10 15  1  0     0  0
 11  1  2  0     0  0
 12  1  2  0     0  0
 13  4  1  0     0  0
 14  8  1  0     0  0
 15 13  1  0     0  0
 16  5  2  0     0  0
 17 14  1  0     0  0
 18  9  2  0     0  0
 19  2  1  0     0  0
 20  9  1  0     0  0
 21  7  1  0     0  0
 22  6  1  0     0  0
 23 17  2  0     0  0
 24 15  1  0     0  0
 25 14  2  0     0  0
 26 20  1  0     0  0
 27 28  1  0     0  0
 28 22  2  0     0  0
 29 26  1  0     0  0
 30 31  2  0     0  0
 31 25  1  0     0  0
  4  3  2  0     0  0
 21 27  2  0     0  0
 23 30  1  0     0  0
M  END

$$$$
D07OIX
  -OEChem-10121501312D

 48 49  0     0  0  0  0  0  0999 V2000
    2.8660   -3.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 33  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
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 27 34  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 31  2  0  0  0  0
 29 46  1  0  0  0  0
 30 32  2  0  0  0  0
 30 45  1  0  0  0  0
M  END

$$$$
D07OJZ
  -OEChem-10191523092D

 48 52  0     0  0  0  0  0  0999 V2000
    5.3496   -2.4585    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -3.6152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1902    4.0277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141   -3.0772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6982    1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8322    2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5642    2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2963    2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1902    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0963    2.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1830    1.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
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  3  4  1  0  0  0  0
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 10 15  2  0  0  0  0
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 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 31 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
M  END

$$$$
D07ONP
  -OEChem-10121501222D

 23 23  0     0  0  0  0  0  0999 V2000
    4.5981   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2 13  2  0  0  0  0
  3  9  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

$$$$
D07ORO
  -OEChem-10101305032D

134142  0     1  0  0  0  0  0999 V2000
    5.5954   -5.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027   -0.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9873    3.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5912    2.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3950    1.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2553    3.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4668   -0.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1950    0.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9796    5.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2591    2.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5950    1.0030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4630    0.5064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.3270    1.0097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.2476    5.4863    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 61132  1  0  0  0  0
M  END

$$$$
D07PAO
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D07PCI
  -OEChem-04152109272D

 81 80  0     1  0  0  0  0  0999 V2000
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 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
M  END

$$$$
D07POC
  -OEChem-10121500312D

 52 54  0     0  0  0  0  0  0999 V2000
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 28 29  3  0  0  0  0
 29 52  1  0  0  0  0
M  END

$$$$
D07QAR
  -OEChem-04152110112D

228240  0     1  0  0  0  0  0999 V2000
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 95 96  1  0  0  0  0
 96107  1  0  0  0  0
 96188  1  6  0  0  0
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 98100  2  0  0  0  0
 98190  1  0  0  0  0
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111207  1  0  0  0  0
112208  1  0  0  0  0
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113116  2  0  0  0  0
113211  1  0  0  0  0
114118  1  0  0  0  0
115117  1  0  0  0  0
116119  1  0  0  0  0
117120  1  0  0  0  0
117212  1  0  0  0  0
118119  2  0  0  0  0
119213  1  0  0  0  0
120124  2  0  0  0  0
120125  1  0  0  0  0
121214  1  0  0  0  0
121215  1  0  0  0  0
121216  1  0  0  0  0
122217  1  0  0  0  0
122218  1  0  0  0  0
122219  1  0  0  0  0
123124  1  0  0  0  0
123126  2  0  0  0  0
124221  1  0  0  0  0
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125222  1  0  0  0  0
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127224  1  0  0  0  0
128225  1  0  0  0  0
128226  1  0  0  0  0
128227  1  0  0  0  0
M  END

$$$$
D07QCE
  -OEChem-10121501112D

 26 28  0     0  0  0  0  0  0999 V2000
    4.4487   -0.0709    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    3.0709    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1724    1.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.0224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2610   -1.2662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.5709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2610   -2.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    2.0928    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.0709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -0.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8446   -2.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -2.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.7007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548   -0.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323   -1.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677   -1.0847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4536   -0.6768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4646   -2.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457   -2.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 24  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 13  2  0  0  0  0
  7 19  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  2  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
M  CHG  2   2  -1   9   1
M  END

$$$$
D07QFP
  -OEChem-10121501002D

 28 28  0     0  0  0  0  0  0999 V2000
    5.1350    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  2  0  0  0  0
  5 17  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  7 19  3  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D07QKN
  SciTegic11301210262D

 13 12  0  0  0  0            999 V2000
    2.1292   -0.4667    0.0000 C   0  0
   -2.3833   -0.5000    0.0000 C   0  0
    0.6125   -0.4792    0.0000 C   0  0
   -0.1083   -1.7917    0.0000 C   0  0
   -0.1208    0.8000    0.0000 C   0  0
   -1.6208   -1.8000    0.0000 C   0  0
   -1.6458    0.7875    0.0000 C   0  0
    2.5000    0.9833    0.0000 O   0  0
   -3.5458    0.4458    0.0000 O   0  0
   -1.0208    2.3083    0.0000 O   0  0
    2.0000   -1.9792    0.0000 C   0  0
    3.6167   -0.7250    0.0000 C   0  0
   -3.5375   -1.4792    0.0000 C   0  0
  2  7  1  0
  3  1  1  0
  4  3  1  0
  5  3  1  0
  6  4  1  0
  7  5  1  0
  8  1  1  0
  9  2  1  0
 11  1  1  0
 12  1  1  0
 13  2  1  0
  6  2  1  0
M  ENDM  END

$$$$
D07QLG
  -OEChem-04152110322D

 28 28  0     1  0  0  0  0  0999 V2000
    2.0000    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    1.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1 22  1  0  0  0  0
  2 13  1  0  0  0  0
  2 28  1  0  0  0  0
  4  3  1  1  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D07QPM
  -OEChem-04152122252D

 21 17  0     0  0  0  0  0  0999 V2000
    3.0981    2.2990    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9904    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881   -1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  CHG  6   1   1   2   1   3   1   5  -1   7  -1   8  -1
M  END

$$$$
D07QQD
  -OEChem-10101305032D

165172  0     1  0  0  0  0  0999 V2000
    8.7832   -6.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3993    0.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2136   -6.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3916    2.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1198    3.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5275    2.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7236    2.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4955    3.6518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4423    4.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712   -0.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4734    7.6407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4106    5.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 71144  1  0  0  0  0
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 78156  1  0  0  0  0
 79160  1  0  0  0  0
 79161  1  0  0  0  0
M  END

$$$$
D07RGW
  -OEChem-10121501192D

 30 31  0     1  0  0  0  0  0999 V2000
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  3  5  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D07RYI
  -OEChem-03081904032D

144143  0     1  0  0  0  0  0999 V2000
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 69136  1  0  0  0  0
 70 71  1  0  0  0  0
 70141  1  0  0  0  0
M  END

$$$$
D07SJT
  -OEChem-10121500262D

 32 31  0     1  0  0  0  0  0999 V2000
    5.1350    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 26  1  0  0  0  0
  2  9  1  0  0  0  0
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 10 19  1  0  0  0  0
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 13 14  1  0  0  0  0
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 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END

$$$$
D07SOO
  -OEChem-10121501192D

 12 11  0     0  0  0  0  0  0999 V2000
    5.4641   -0.3170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END

$$$$
D07SUG
  -OEChem-10121501122D

 28 27  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D07SYJ
  -OEChem-04152122242D

 31 32  0     0  0  0  0  0  0999 V2000
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 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D07TGN
  -OEChem-10121500582D

140148  0     1  0  0  0  0  0999 V2000
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 63131  1  0  0  0  0
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 65134  1  0  0  0  0
 66135  1  0  0  0  0
 66136  1  0  0  0  0
M  END

$$$$
D07TGY
  -OEChem-04152108462D

 34 36  0     1  0  0  0  0  0999 V2000
    4.2690    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D07TOK
  -OEChem-03101900402D

 53 57  0     1  0  0  0  0  0999 V2000
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 27 48  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D07TQV
  -OEChem-10101305032D

 26 27  0     1  0  0  0  0  0999 V2000
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 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
M  END

$$$$
D07TWN
  -OEChem-10101305022D

 61 63  0     1  0  0  0  0  0999 V2000
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 28 30  1  0  0  0  0
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 29 31  1  0  0  0  0
 29 33  1  0  0  0  0
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 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END

$$$$
D07UBG
  -OEChem-10101305022D

 71 75  0     0  0  0  0  0  0999 V2000
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 40 70  1  0  0  0  0
M  END

$$$$
D07UHS
  -OEChem-10111523472D

 55 55  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D07UWJ
  -OEChem-04152109232D

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M  END

$$$$
D07UWV
  -OEChem-10121500492D

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 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 34  2  0  0  0  0
 31 62  1  0  0  0  0
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 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
M  END

$$$$
D07UXP
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
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 11 20  1  0  0  0  0
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 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D07UYO
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D07VBA
  -OEChem-04152108392D

 58 61  0     1  0  0  0  0  0999 V2000
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 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  END

$$$$
D07VDZ
  -OEChem-10121501012D

 43 45  0     1  0  0  0  0  0999 V2000
    8.6690    0.9747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141   -0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709    1.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8079   -0.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926    0.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926    1.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8030    0.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1690    0.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1690    1.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5350    1.4747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2049   -0.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3388    0.4747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0709    0.4747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3388    1.4747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2049    1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9369    0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2983   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3163   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179   -0.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489   -0.3705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489    2.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    2.4496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8063    2.4496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354    1.4496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384    1.4496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0642   -2.0733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8827   -1.7591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5685   -0.9405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817   -2.0299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2335   -2.7113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149   -2.1595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    1.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    0.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.0225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.1147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0719    1.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5350    2.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  6  0  0  0
 12 14  1  0  0  0  0
 12 24  1  1  0  0  0
 13 18  1  6  0  0  0
 14 15  1  0  0  0  0
 14 25  1  1  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D07VFD
  -OEChem-02031521062D

 34 35  0     1  0  0  0  0  0999 V2000
    2.3089   -0.4971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107   -1.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.1242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8071    0.3740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8154    0.3782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8154    1.3782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8071    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    1.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8071    0.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8092   -0.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542    0.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542    0.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3089   -0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542    1.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6842   -0.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6842    2.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8088    2.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1871    1.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034    1.9972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5143    2.2536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9580   -0.5205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9135    0.9828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    0.5828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984   -0.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983   -1.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2466    0.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9368    0.6661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6775   -1.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -0.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912    1.4342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1642    2.2811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3173    2.0542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 34  1  0  0  0  0
  2 14  2  0  0  0  0
  3 11  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  6  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END

$$$$
D07VHR
  -OEChem-10121501232D

 43 45  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    1.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912    3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980    3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -1.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791   -2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144   -0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416    1.0993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    1.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    0.9099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5930    1.9227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5097    2.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9772    3.4251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0606    2.6324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644    3.7398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    4.5584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316    4.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673   -2.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1344    0.5624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -2.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -3.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8080   -2.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751    0.0618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -3.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0119   -1.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 35  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  2  0  0  0  0
 16 37  1  0  0  0  0
 17 20  2  0  0  0  0
 17 36  1  0  0  0  0
 18 22  2  0  0  0  0
 18 38  1  0  0  0  0
 19 23  2  0  0  0  0
 19 39  1  0  0  0  0
 20 23  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D07VIK
  -OEChem-10101305022D

  5  0  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 As  0  1  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 As  0  1  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1   3   2   3   3  -2   4  -2   5  -2
M  END

$$$$
D07VLY
  -OEChem-10121501062D

 68 72  0     1  0  0  0  0  0999 V2000
    5.9812    0.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2493    0.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5669   -2.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    2.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296    0.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296   -3.5303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -1.1909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670   -2.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4780    0.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4780   -3.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3153    0.5474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840    3.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9697   -0.4956    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0636   -2.0511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0636   -1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9697   -2.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636   -1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636   -2.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  4  1  1  0  0  0
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 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 29  1  1  0  0  0
 23 50  1  0  0  0  0
 24 27  1  0  0  0  0
 25 30  1  0  0  0  0
 26 28  1  0  0  0  0
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 27 31  1  0  0  0  0
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 29 52  1  0  0  0  0
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 29 54  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 33  1  0  0  0  0
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 33 35  1  0  0  0  0
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 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 62  1  0  0  0  0
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 38 65  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
M  END

$$$$
D07VRO
          01071100412D 1   1.00000     0.00000     0

 13 12  0     0  0            999 V2000
   -1.0583    0.6583    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7000    0.0417    0.0000 N   0  3  3  0  0  0           0  0  0
   -0.3451    0.6603    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9250    0.0417    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3125   -0.3125    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0875   -0.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5250    0.0417    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9221    0.7501    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5339    1.1042    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1477    0.7508    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1459    0.0396    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5337   -0.3113    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8042    1.0625    0.0000 Cl  0  5  0  0  0  0           0  0  0
  2  1  1  0     0  0
  6  7  1  0     0  0
  3  2  1  0     0  0
  4  8  2  0     0  0
  8  9  1  0     0  0
  4  5  1  0     0  0
  9 10  2  0     0  0
  5  2  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12  4  1  0     0  0
  2  6  1  0     0  0
M  CHG  2   2   1  13  -1
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT
M  SAL   1  1   6
M  SBL   1  2   2  12
M  SDI   1  4   -0.3800   -0.6800   -0.3800    0.1500
M  SDI   1  4    0.2300    0.1500    0.2300   -0.6800
M  END

$$$$
D07WEP
  -OEChem-10111523472D

 21 22  0     0  0  0  0  0  0999 V2000
    7.2622   -0.9011    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  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
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 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END

$$$$
D07WFK
  -OEChem-10121500572D

 42 43  0     0  0  0  0  0  0999 V2000
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    3.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 19  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  2  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D07WXE
  -OEChem-10101305022D

 30 29  0     1  0  0  0  0  0999 V2000
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    3.4030   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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  8  5  1  1  0  0  0
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  5 21  1  0  0  0  0
 11  6  1  6  0  0  0
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  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D07WZH
  -OEChem-10101305022D

 47 49  0     1  0  0  0  0  0999 V2000
    6.3301   -1.0254    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3214   -2.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5822   -1.6899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5486   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8095   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
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 12  9  1  1  0  0  0
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 20 10  1  1  0  0  0
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 25 42  1  0  0  0  0
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 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END

$$$$
D07XBE
  -OEChem-10101305022D

150156  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D07XGH
  -OEChem-10101305022D

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M  END

$$$$
D07XGR
  -OEChem-10121501162D

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 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 24  2  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D07XHO
  -OEChem-10121500222D

 43 45  0     0  0  0  0  0  0999 V2000
    8.6651    0.5954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2675   -0.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 29  1  0  0  0  0
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 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 33  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END

$$$$
D07XJM
  -OEChem-10121500132D

 57 58  0     0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 22  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
M  END

$$$$
D07XSN
  -OEChem-10121500292D

 30 31  0     1  0  0  0  0  0999 V2000
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 10  3  1  1  0  0  0
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 11  6  1  6  0  0  0
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 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  6  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D07XVN
  -OEChem-10121501282D

 35 36  0     1  0  0  0  0  0999 V2000
    2.8660    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 16  2  0  0  0  0
  3 18  2  0  0  0  0
  4 19  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 34  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  1  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 17  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END

$$$$
D07XVR
  -OEChem-04152109532D

 21 10  0     0  0  0  0  0  0999 V2000
    4.8059    2.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    2.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.5380    2.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.9399    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    1.5000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.6720    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.9399    2.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.8059    1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.8059    3.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.6720    1.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.0739    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  7  2  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 13  3  0  0  0  0
  9 14  3  0  0  0  0
 10 15  3  0  0  0  0
 11 16  3  0  0  0  0
 12 17  3  0  0  0  0
M  CHG  8   1   4   2   1   3   1   7  -1  13  -1  14  -1  15  -1  16  -1
M  CHG  1  17  -1
M  END

$$$$
D07XYV
  -OEChem-10121500542D

 55 55  0     1  0  0  0  0  0999 V2000
    4.5981    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592    2.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    3.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    4.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    4.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3862    4.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1592    3.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0062    1.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    2.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -3.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -2.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 42  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 21  2  0  0  0  0
  5 22  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 31  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 43  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END

$$$$
D07YDE
  -OEChem-10121501052D

 20 19  0     0  0  0  0  0  0999 V2000
    6.3301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  6   4  -1   6  -1   7  -1  10   1  11   1  12   1
M  END

$$$$
D07YWY
  -OEChem-04152109032D

 61 63  0     1  0  0  0  0  0999 V2000
    3.4782   -0.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -3.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.9827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4487    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9407    4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8468    2.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9128   -4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026    0.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    1.9263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3147    1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -0.4719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -0.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3928    0.9001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7913    1.5903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    2.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702   -1.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687   -2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6574   -2.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2588   -1.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    1.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1808    5.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    5.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -3.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3825    2.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2928   -4.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8008   -4.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  2  0  0  0  0
  4 18  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 25  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 26  1  0  0  0  0
 22 49  1  0  0  0  0
 23 27  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 28  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
M  END

$$$$
D07ZBE
          01210517132D 1   1.00000     0.00000     0

 35 35  0     0  0            999 V2000
    5.3000   -3.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6792   -2.4750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0667   -3.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3000   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6792   -3.9000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0667   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9167   -3.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6792   -1.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4542   -3.8917    0.0000 N   0  0  0  0  0  0           0  0  0
    2.8417   -3.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5292   -3.5375    0.0000 N   0  0  3  0  0  0           0  0  0
    5.3000   -1.4125    0.0000 N   0  0  3  0  0  0           0  0  0
    2.2292   -3.8917    0.0000 C   0  0  3  0  0  0           0  0  0
    4.0667   -1.4125    0.0000 O   0  0  0  0  0  0           0  0  0
    5.9167   -4.6000    0.0000 O   0  0  0  0  0  0           0  0  0
    7.1417   -3.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9125   -1.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8417   -2.8292    0.0000 O   0  0  0  0  0  0           0  0  0
    5.9125   -2.4750    0.0000 I   0  0  0  0  0  0           0  0  0
    4.6792   -4.6042    0.0000 I   0  0  0  0  0  0           0  0  0
    3.4542   -2.4792    0.0000 I   0  0  0  0  0  0           0  0  0
    6.5250   -1.4125    0.0000 C   0  0  3  0  0  0           0  0  0
    7.7542   -3.5375    0.0000 C   0  0  3  0  0  0           0  0  0
    6.5250   -0.7000    0.0000 O   0  0  0  0  0  0           0  0  0
    7.7542   -2.8292    0.0000 O   0  0  0  0  0  0           0  0  0
    6.5250   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3000   -0.7000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2250   -4.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6167   -3.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6125   -4.9542    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0000   -3.8875    0.0000 O   0  0  0  0  0  0           0  0  0
    7.7542   -1.4125    0.0000 O   0  0  0  0  0  0           0  0  0
    8.9792   -3.5292    0.0000 O   0  0  0  0  0  0           0  0  0
    7.1375   -1.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3667   -3.8875    0.0000 C   0  0  0  0  0  0           0  0  0
  2  4  1  0     0  0
  3  5  2  0     0  0
  4  1  2  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
  9  3  1  0     0  0
 10  9  1  0     0  0
 11  7  1  0     0  0
 12  8  1  0     0  0
 13 10  1  0     0  0
 14  8  2  0     0  0
 15  7  2  0     0  0
 16 11  1  0     0  0
 17 12  1  0     0  0
 18 10  2  0     0  0
 19  4  1  0     0  0
 20  5  1  0     0  0
 21  6  1  0     0  0
 22 17  1  0     0  0
 23 16  1  0     0  0
 24 22  1  0     0  0
 25 23  1  0     0  0
 26 11  1  0     0  0
 27 12  1  0     0  0
 28 13  1  0     0  0
 29 13  1  0     0  0
 30 28  1  0     0  0
 31 29  1  0     0  0
 32 34  1  0     0  0
 33 35  1  0     0  0
 34 22  1  0     0  0
 35 23  1  0     0  0
  2  6  2  0     0  0
M  END

$$$$
D07ZRI
  -OEChem-04152110552D

 17 15  0     0  0  0  0  0  0999 V2000
    2.0190    0.0000    0.0000 Tc  2  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.3100    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.3100    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    3.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    3.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    5.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    5.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2550    3.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830    3.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
 11 12  1  0  0  0  0
M  ISO  1   1  99
M  END

$$$$
D07ZTO
  -OEChem-10121500002D

 28 27  0     1  0  0  0  0  0999 V2000
    5.4641    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D08ALK
  -OEChem-04152108482D

139144  0     1  0  0  0  0  0999 V2000
    2.8680   -3.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4161    6.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6422    7.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2641   -1.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7641    1.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2641   -3.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2641    0.1501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -4.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9603    2.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -6.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9603    4.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.3140    0.0000 N   0  3  2  0  0  0  0  0  0  0  0  0
   17.7641    2.7481    0.0000 N   0  3  2  0  0  0  0  0  0  0  0  0
    6.3981   -3.8140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.6301    3.2481    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2641   -2.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 66136  1  0  0  0  0
 67137  1  0  0  0  0
 67138  1  0  0  0  0
 67139  1  0  0  0  0
M  CHG  2  13   1  14   1
M  END

$$$$
D08BDT
  -OEChem-10101305032D

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 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  END

$$$$
D08BTB
  -OEChem-04152122232D

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M  END

$$$$
D08BYK
  -OEChem-10101305032D

 28 29  0     1  0  0  0  0  0999 V2000
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 11  7  1  1  0  0  0
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 16 27  1  0  0  0  0
M  END

$$$$
D08CCE
          01210517122D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
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 10  8  2  0     0  0
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 21 20  1  0     0  0
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 21 16  2  0     0  0
 12 18  2  0     0  0
M  END

$$$$
D08CDI
  -OEChem-10121500412D

 66 70  0     0  0  0  0  0  0999 V2000
   12.3832   -2.2696    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -2.3673    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.6957   -3.8195    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1010    0.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8271   -2.7740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1267   -1.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7215   -0.4356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6859    0.7503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6975    3.8195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6036    2.2640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3148   -1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7161   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1228    0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0715    2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2055    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8036    2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6228    1.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2919    2.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8036    3.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0715    3.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6975    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068   -3.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375    3.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5461    0.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6036    3.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5346   -0.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4179    0.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2665   -0.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3947   -1.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2781    0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9984   -0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8586   -1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8470   -2.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7304   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7072   -2.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5905   -1.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5790   -2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716   -1.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164   -1.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -0.8352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7187   -1.3037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6728   -0.9496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3177   -0.4811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3571    0.0659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375    1.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0062    1.5133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630    2.7980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5346    3.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404   -3.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -3.8472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732   -3.5330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375    4.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1454    0.4465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9941   -1.0634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250    1.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1393    3.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8185    0.5240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4024   -0.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6054   -0.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3066   -2.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7375   -0.1998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1310   -1.0259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1123   -2.6458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3 38  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  7 31  1  0  0  0  0
  7 34  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 47  1  0  0  0  0
  9 24  1  0  0  0  0
  9 27  1  0  0  0  0
  9 56  1  0  0  0  0
 10 22  1  0  0  0  0
 10 28  2  0  0  0  0
 11 24  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 16 23  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 18 24  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 26  1  0  0  0  0
 23 26  2  0  0  0  0
 23 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 59  1  0  0  0  0
 29 32  1  0  0  0  0
 29 57  1  0  0  0  0
 30 33  2  0  0  0  0
 30 58  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 60  1  0  0  0  0
 34 35  1  0  0  0  0
 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 63  1  0  0  0  0
 37 39  2  0  0  0  0
 37 64  1  0  0  0  0
 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
 39 65  1  0  0  0  0
 40 66  1  0  0  0  0
M  END

$$$$
D08CTT
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
    7.7619   -1.5591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.0622    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    0.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    2.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    1.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -2.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -1.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1793   -1.7712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7826    2.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    2.2679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -0.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7249   -2.7351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719   -2.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988   -2.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5719   -0.1561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7249   -0.3831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279    0.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    3.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311    1.8087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END

$$$$
D08CVQ
  -OEChem-10121501302D

762807  0     1  0  0  0  0  0999 V2000
   11.0084   23.8268    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3878   22.5265    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.4888   20.8586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.3928  -20.9056    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.7279  -18.4218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.9991  -25.2911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8582   27.1811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.7143  -16.2397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.1458  -28.6762    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.8954   16.3290    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1637  -12.4938    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.8595   12.2044    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.1124   -8.0138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.7661    7.5407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.6981   -7.6286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.6042    2.7391    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.6179    0.5571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.6654    7.0373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.4803   -3.9631    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8001   23.3355    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.0303   24.0347    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   18.5378   20.5496    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   25.3982  -21.0102    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   22.3211  -17.5083    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   26.2559  -24.6220    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   24.1457  -27.6762    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.8582   27.1811    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.8007  -15.8330    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   18.3954   17.1950    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   15.4205  -11.8247    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   21.0675   13.1825    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   15.9785   -8.5137    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   19.7661    8.5407    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   20.6491   -7.3195    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   18.4133    3.3270    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   19.6436    6.8294    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   21.2110    1.4705    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   22.8870   -3.0495    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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406688  1  0  0  0  0
407689  1  0  0  0  0
407690  1  0  0  0  0
408691  1  0  0  0  0
410692  1  0  0  0  0
410693  1  0  0  0  0
411694  1  0  0  0  0
411695  1  0  0  0  0
411696  1  0  0  0  0
412697  1  0  0  0  0
412698  1  0  0  0  0
412699  1  0  0  0  0
413700  1  0  0  0  0
413701  1  0  0  0  0
414702  1  0  0  0  0
414703  1  0  0  0  0
415704  1  0  0  0  0
415705  1  0  0  0  0
416706  1  0  0  0  0
416707  1  0  0  0  0
416708  1  0  0  0  0
417422  2  0  0  0  0
417709  1  0  0  0  0
419429  1  0  0  0  0
420712  1  0  0  0  0
420713  1  0  0  0  0
420714  1  0  0  0  0
421715  1  0  0  0  0
422430  1  0  0  0  0
422442  1  0  0  0  0
423434  2  0  0  0  0
424437  2  0  0  0  0
424718  1  0  0  0  0
426441  2  0  0  0  0
426722  1  0  0  0  0
427723  1  0  0  0  0
431443  2  0  0  0  0
431726  1  0  0  0  0
433445  2  0  0  0  0
433727  1  0  0  0  0
434448  1  0  0  0  0
435446  2  0  0  0  0
435728  1  0  0  0  0
437444  1  0  0  0  0
437450  1  0  0  0  0
438729  1  0  0  0  0
438730  1  0  0  0  0
438731  1  0  0  0  0
441447  1  0  0  0  0
441453  1  0  0  0  0
442733  1  0  0  0  0
442734  1  0  0  0  0
442735  1  0  0  0  0
443449  1  0  0  0  0
443455  1  0  0  0  0
445451  1  0  0  0  0
445456  1  0  0  0  0
446452  1  0  0  0  0
446457  1  0  0  0  0
450739  1  0  0  0  0
450740  1  0  0  0  0
450741  1  0  0  0  0
453742  1  0  0  0  0
453743  1  0  0  0  0
453744  1  0  0  0  0
455748  1  0  0  0  0
455749  1  0  0  0  0
455750  1  0  0  0  0
456751  1  0  0  0  0
456752  1  0  0  0  0
456753  1  0  0  0  0
457754  1  0  0  0  0
457755  1  0  0  0  0
457756  1  0  0  0  0
M  CHG  8  67  -1  71  -1  74  -1  76  -1  78  -1  80  -1  89  -1  92  -1
M  CHG  8  97  -1 101  -1 122  -1 127  -1 135  -1 137  -1 140  -1 142  -1
M  CHG  3 144  -1 146  -1 148  -1
M  END

$$$$
D08DFX
  -OEChem-10121500252D

 56 59  0     1  0  0  0  0  0999 V2000
    5.1920    1.8553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499    6.0424    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -4.2324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -2.7324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -4.7324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -4.2324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    1.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9132    3.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    4.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187    3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322    5.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    4.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7377    5.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.4224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -5.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -5.2074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -5.2074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.3524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -6.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.3752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    1.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    1.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3997    1.6637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8655    3.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    4.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6666    2.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9844    5.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143    4.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 24  1  0  0  0  0
  2 31  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  8  4  1  1  0  0  0
  4 40  1  0  0  0  0
  9  5  1  6  0  0  0
  5 41  1  0  0  0  0
 11  6  1  1  0  0  0
  6 42  1  0  0  0  0
  7 14  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  6  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  6  0  0  0
 12 36  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 19  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  2  0  0  0  0
 23 25  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  2  0  0  0  0
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
M  END

$$$$
D08EBN
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    7.1391    1.2071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    3.8807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4124    2.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4179    2.9672    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    2.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4 20  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  7 24  1  0  0  0  0
  8 16  2  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END

$$$$
D08EOD
  -OEChem-10191522542D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0000    1.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    1.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2601    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -0.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    0.1017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174    0.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7194   -0.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8571   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8571   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D08EVN
  SciTegic01161211252D

 23 22  0  0  0  0            999 V2000
    1.7167    0.3333    0.0000 C   0  0
    2.9500    0.3125    0.0000 C   0  0
    2.3333   -0.0250    0.0000 C   0  0
    1.7167    1.0417    0.0000 C   0  0
    2.9500    1.0167    0.0000 C   0  0
    1.0917   -0.0250    0.0000 C   0  0
    2.3542    1.3917    0.0000 C   0  0
    3.5583   -0.0458    0.0000 N   0  0
   -0.1458    0.0000    0.0000 C   0  0
    4.1875    0.3125    0.0000 C   0  0
    0.4875    0.3417    0.0000 C   0  0
   -0.7667    0.3542    0.0000 O   0  5
   -0.1458   -0.7125    0.0000 O   0  0
    4.1708    0.9708    0.0000 O   0  0
    2.3250   -0.7375    0.0000 I   0  0
    1.1125    1.4000    0.0000 I   0  0
    3.5792    1.3708    0.0000 I   0  0
   -1.8792    0.3417    0.0000 Na  0  3
    4.8042   -0.0500    0.0000 C   0  0
    0.4875    1.0500    0.0000 C   0  0
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   -0.1417    1.4167    0.0000 C   0  0
    6.0417   -0.0750    0.0000 C   0  0
  2  3  1  0
  3  1  2  0
  4  1  1  0
  5  7  1  0
  6  1  1  0
  7  4  2  0
  8  2  1  0
  9 11  1  0
 10  8  1  0
 11  6  1  0
 12  9  1  0
 13  9  2  0
 14 10  2  0
 15  3  1  0
 16  4  1  0
 17  5  1  0
 19 10  1  0
 20 11  1  0
 21 19  1  0
 22 20  1  0
 23 21  1  0
  5  2  2  0
M  CHG  2  12  -1  18   1
M  ENDM  END

$$$$
D08FJL
  -OEChem-04152108492D

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 69137  1  0  0  0  0
 69138  1  0  0  0  0
M  END

$$$$
D08FPM
  -OEChem-10101305032D

 76 76  0     0  0  0  0  0  0999 V2000
    3.2018    4.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    8.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534    8.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534    4.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3678   12.7687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3678    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6576    5.1470    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.6576    9.2048    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.7916    3.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7916    7.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    4.6598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    8.7289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590   10.7488    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6590    2.6398    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0678    7.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    7.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8104    4.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8104    9.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    7.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    7.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    3.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   10.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    6.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    7.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5192    2.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5192   11.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    7.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    7.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076   12.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076    1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9255    9.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9255    5.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7916    8.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7916    4.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    8.6588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    9.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    4.7299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1895    3.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5800    2.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5800   10.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1895   10.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097    4.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097    9.0327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    5.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    7.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3428    2.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9752    3.1732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3428   11.2821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9752   10.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1285    2.0152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7379    2.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7379   10.6787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1285   11.3735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983    1.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    0.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888   12.8389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983   12.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    4.3436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    9.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3606    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3606   13.3887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2355    5.6839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2355    9.7417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3886    9.5148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6155    8.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3886    5.4570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6155    4.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  2  0  0  0  0
  2 23  2  0  0  0  0
  3 32  1  0  0  0  0
  3 68  1  0  0  0  0
  4 31  1  0  0  0  0
  4 67  1  0  0  0  0
  5 35  1  0  0  0  0
  5 70  1  0  0  0  0
  6 36  1  0  0  0  0
  6 69  1  0  0  0  0
  7 40  1  0  0  0  0
  8 39  1  0  0  0  0
  9 40  2  0  0  0  0
 10 39  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 49  1  0  0  0  0
 12 17  1  0  0  0  0
 12 20  1  0  0  0  0
 12 50  1  0  0  0  0
 13 26  1  0  0  0  0
 13 30  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 25  1  0  0  0  0
 14 29  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 28  1  0  0  0  0
 18 27  1  0  0  0  0
 19 25  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 26  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 32  2  0  0  0  0
 22 24  1  0  0  0  0
 22 31  2  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 36  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 35  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 39  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 38 40  1  0  0  0  0
 38 71  1  0  0  0  0
 38 75  1  0  0  0  0
 38 76  1  0  0  0  0
M  CHG  4   7  -1   8  -1  13   1  14   1
M  END

$$$$
D08FTG
  -OEChem-10121501002D

 27 29  0     0  0  0  0  0  0999 V2000
    4.9889   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -0.5523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D08GHB
  -OEChem-10121500002D

 56 58  0     1  0  0  0  0  0999 V2000
    5.9209    4.0355    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -4.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -2.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.3761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -3.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.4374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2619   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.3034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0000   -1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -3.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    3.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -3.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -2.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -0.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -2.6568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8396   -3.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070   -3.5324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7826   -3.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741   -2.6607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0953   -1.9262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519   -0.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -2.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -2.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.9743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819   -2.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.9286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793   -3.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695   -3.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2177    3.3402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
 18  2  1  1  0  0  0
  2 54  1  0  0  0  0
 21  3  1  1  0  0  0
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 13 35  1  0  0  0  0
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 14 34  1  0  0  0  0
 14 37  1  0  0  0  0
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 15 24  2  0  0  0  0
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 16 22  1  0  0  0  0
 16 39  1  0  0  0  0
 17 23  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 44  1  0  0  0  0
 21 26  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
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 24 48  1  0  0  0  0
 25 28  2  0  0  0  0
 25 49  1  0  0  0  0
 26 30  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 29  2  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D08GJO
          11280715372D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
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    2.1167   -1.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1167   -1.9750    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.8292   -2.3875    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8250   -3.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1042    0.1333    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3875    0.5375    0.0000 N   0  0  0  0  0  0           0  0  0
    2.8250    0.0958    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5417   -3.6250    0.0000 O   0  0  0  0  0  0           0  0  0
    7.1167   -0.6917    0.0000 O   0  0  0  0  0  0           0  0  0
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    0.6875   -1.9750    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5  3  1  0     0  0
  6  5  1  0     0  0
  7  8  1  0     0  0
  8 13  1  0     0  0
  9  1  2  0     0  0
 10  6  2  0     0  0
 11  7  2  0     0  0
 12  4  1  0     0  0
 13 17  2  0     0  0
 14  2  2  0     0  0
 15 12  1  0     0  0
 16 12  2  0     0  0
 17 16  1  0     0  0
 18 15  2  0     0  0
 19  3  2  0     0  0
 20  6  1  0     0  0
 21  7  1  0     0  0
 22 14  1  0     0  0
 23 22  2  0     0  0
 13 18  1  0     0  0
 19 23  1  0     0  0
M  END

$$$$
D08GSF
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
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    6.9343    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3083   -1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8282    0.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
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  3 14  1  0  0  0  0
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  3 27  1  0  0  0  0
  4  6  1  0  0  0  0
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  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 17  1  0  0  0  0
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 10 16  2  0  0  0  0
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 11 13  2  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D08GUZ
  -OEChem-10101305032D

143144  0     1  0  0  0  0  0999 V2000
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 71135  1  0  0  0  0
 71136  1  0  0  0  0
 71137  1  0  0  0  0
M  END

$$$$
D08GYO
  -OEChem-10121501232D

 35 35  0     0  0  0  0  0  0999 V2000
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 16 35  1  0  0  0  0
M  END

$$$$
D08HDY
  -OEChem-10101305022D

 63 65  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D08HJT
  -OEChem-10101305032D

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M  END

$$$$
D08HQK
  -OEChem-10101305032D

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M  END

$$$$
D08HRJ
  -OEChem-10121501132D

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  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 11 33  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  2  0  0  0  0
 13 35  1  0  0  0  0
 14 18  2  0  0  0  0
 14 36  1  0  0  0  0
 15 19  2  0  0  0  0
 15 37  1  0  0  0  0
 16 20  2  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D08HUC
  -OEChem-10191522532D

 38 38  0     1  0  0  0  0  0999 V2000
    3.4030    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    1.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    2.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 35  1  0  0  0  0
  2 15  1  0  0  0  0
  2 37  1  0  0  0  0
  3 17  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
M  END

$$$$
D08HVE
  -OEChem-04152122242D

 10  9  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END

$$$$
D08HVR
  -OEChem-10121500142D

 25 25  0     1  0  0  0  0  0999 V2000
    2.5369   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 23  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  2  0  0  0  0
  7  5  1  1  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

$$$$
D08HZC
  -OEChem-10121501222D

 20 19  0     1  0  0  0  0  0999 V2000
    2.5369   -0.9050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9030    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    0.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    0.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130   -1.8080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399   -0.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3  9  2  0  0  0  0
  6  4  1  1  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D08HZL
  -OEChem-10191522542D

 43 45  0     1  0  0  0  0  0999 V2000
    4.6660   -2.9827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5173    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.3327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    1.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881   -0.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    0.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    0.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4643   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
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  8 10  1  0  0  0  0
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  9 11  1  0  0  0  0
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 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
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 12 31  1  0  0  0  0
 13 19  1  0  0  0  0
 13 30  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 21  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D08IBS
  -OEChem-10121500272D

 15 16  0     0  0  0  0  0  0999 V2000
    4.6783    0.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.7391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END

$$$$
D08IFL
  -OEChem-10121501192D

 30 31  0     0  0  0  0  0  0999 V2000
    2.0000   -1.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 19  1  0  0  0  0
  3 30  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
 10 15  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D08IWD
  -OEChem-10121500592D

 63 66  0     1  0  0  0  0  0999 V2000
    7.9821    2.1774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.9203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285    1.6393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.8222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931    0.1778    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -1.3222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.8222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -1.3290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.4826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    0.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -1.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -2.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229   -0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.3706    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6451   -2.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -0.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500    1.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391    2.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2498    3.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897    2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9886    2.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -0.3972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    0.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.1528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    1.1528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    0.7604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.6938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.4361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -2.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.7369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7463   -3.2206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -3.3674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -3.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    1.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.7978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8100   -3.5403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -0.9767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0425    1.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8391    3.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4424    4.1297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6605    3.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6970    1.6898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4790    2.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0823    2.8685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1812    3.4898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3993    3.0931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7960    2.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 23  2  0  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  3 52  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  4 54  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  6  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 29  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  6  0  0  0
  9 16  1  0  0  0  0
  9 19  1  1  0  0  0
  9 20  1  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  1  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  6  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  0  0  0  0
 20 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
M  END

$$$$
D08JCA
  -OEChem-04152109202D

 27 27  0     0  0  0  0  0  0999 V2000
    2.1340    2.1550    0.0000 Ag  0  3  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6550    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  CHG  2   1   1   5  -1
M  END

$$$$
D08JIV
  -OEChem-10121501042D

 53 54  0     1  0  0  0  0  0999 V2000
    8.1810    2.9836    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7050    2.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1215   -2.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1042    0.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 15  1  0  0  0  0
  2 24  1  0  0  0  0
  3 16  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
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 10 12  2  0  0  0  0
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 12 15  1  0  0  0  0
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 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 28  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END

$$$$
D08JZS
  -OEChem-04152109092D

 44 45  0     1  0  0  0  0  0999 V2000
    2.8660   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  6  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
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  5 23  1  0  0  0  0
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  8 10  2  0  0  0  0
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 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 11 16  2  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 18  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END

$$$$
D08KBK
  -OEChem-10101305022D

 42 45  0     1  0  0  0  0  0999 V2000
    2.0280    0.2076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411   -6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2601    5.7464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    4.7954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    5.7464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -4.3313    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5691   -3.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -5.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 14  1  6  0  0  0
 11 28  1  0  0  0  0
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 13 16  2  0  0  0  0
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 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 35  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
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 25 26  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END

$$$$
D08KVZ
  -OEChem-10111523512D

 45 46  0     1  0  0  0  0  0999 V2000
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    5.0000    2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
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  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  1  0  0  0  0
 11 30  1  0  0  0  0
 12 18  2  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 43  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  2  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
M  END

$$$$
D08LFZ
  -OEChem-10121501142D

 26 27  0     0  0  0  0  0  0999 V2000
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  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 14  2  0  0  0  0
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 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D08LTU
  -OEChem-04152109142D

 60 63  0     1  0  0  0  0  0999 V2000
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 12  1  1  6  0  0  0
  1 41  1  0  0  0  0
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 15  8  1  6  0  0  0
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 10 29  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
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 11 34  1  6  0  0  0
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 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 37  1  6  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 24 28  2  0  0  0  0
 25 30  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 31  1  0  0  0  0
 30 31  2  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END

$$$$
D08MRN
  -OEChem-10121501172D

 42 43  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D08NLN
  -OEChem-04152121562D

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 21  1  1  6  0  0  0
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 20  2  1  1  0  0  0
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 30  5  1  6  0  0  0
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 45112  1  0  0  0  0
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 46115  1  0  0  0  0
 46116  1  0  0  0  0
 47 50  1  0  0  0  0
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 48119  1  0  0  0  0
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 49 51  2  0  0  0  0
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 52123  1  0  0  0  0
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 58135  1  0  0  0  0
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 59137  1  0  0  0  0
 59138  1  0  0  0  0
 59139  1  0  0  0  0
 60 61  1  0  0  0  0
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 61140  1  0  0  0  0
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 62141  1  0  0  0  0
 63 64  1  0  0  0  0
 63143  1  0  0  0  0
 63144  1  0  0  0  0
 64 67  1  0  0  0  0
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 65146  1  0  0  0  0
 65147  1  0  0  0  0
 65148  1  0  0  0  0
 66 69  1  0  0  0  0
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 67 69  2  0  0  0  0
 67150  1  0  0  0  0
 68151  1  0  0  0  0
 68152  1  0  0  0  0
 68153  1  0  0  0  0
 69154  1  0  0  0  0
 70155  1  0  0  0  0
 70156  1  0  0  0  0
 70157  1  0  0  0  0
M  END

$$$$
D08NNW
  -OEChem-04152109532D

  7  6  0     0  0  0  0  0  0999 V2000
    4.2690    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4050    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
M  END

$$$$
D08NQZ
  -OEChem-04152109192D

 56 59  0     1  0  0  0  0  0999 V2000
    6.0678    1.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1837   -1.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    2.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    2.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -0.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5194    2.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075    2.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1854   -1.9592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    0.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -0.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7998   -0.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0678    0.5754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1738   -0.9593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6938   -0.9593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7998    0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1838   -1.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5310   -1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3252   -2.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0572   -2.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5310    1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037    1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748    0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0743   -1.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3323   -1.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149   -1.2620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505   -1.5033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5238   -1.6223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0105   -0.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105    0.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0528    2.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  6  0  0  0
  1 41  1  0  0  0  0
 16  2  1  1  0  0  0
  2 42  1  0  0  0  0
  3 18  2  0  0  0  0
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  4 50  1  0  0  0  0
  5 22  1  0  0  0  0
  5 51  1  0  0  0  0
  6 21  2  0  0  0  0
  7 29  1  0  0  0  0
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  8 30  2  0  0  0  0
 15  9  1  6  0  0  0
  9 27  1  0  0  0  0
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 10 30  1  0  0  0  0
 10 54  1  0  0  0  0
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 11 13  1  0  0  0  0
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 11 33  1  6  0  0  0
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 12 34  1  6  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 26  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 29  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 26 31  2  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D08NWF
  -OEChem-04152111202D

 29 31  0     0  0  0  0  0  0999 V2000
   10.4580    0.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    1.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -0.3632    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   10.4118    1.5555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7918   -1.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 19  1  0  0  0  0
  3 29  1  0  0  0  0
  4 18  3  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
M  END

$$$$
D08OKJ
  -OEChem-10101305022D

  8  6  0     0  0  0  0  0  0999 V2000
    1.1530    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    4.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END

$$$$
D08PCE
  -OEChem-10101305032D

 77 81  0     0  0  0  0  0  0999 V2000
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 44 75  1  0  0  0  0
 45 76  1  0  0  0  0
M  END

$$$$
D08PIE
  -OEChem-03081904032D

 79 83  0     0  0  0  0  0  0999 V2000
    8.0622    6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 19  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 20  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 25  1  0  0  0  0
 23 61  1  0  0  0  0
 24 26  2  0  0  0  0
 24 62  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 63  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  2  0  0  0  0
 31 38  2  0  0  0  0
 32 36  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
 34 72  1  0  0  0  0
 34 73  1  0  0  0  0
 34 74  1  0  0  0  0
 35 39  1  0  0  0  0
 35 75  1  0  0  0  0
 36 37  2  0  0  0  0
 37 77  1  0  0  0  0
 38 40  1  0  0  0  0
 38 76  1  0  0  0  0
 39 40  2  0  0  0  0
 39 78  1  0  0  0  0
 40 79  1  0  0  0  0
M  END

$$$$
D08PIQ
  -OEChem-04282022032D

 57 60  0     1  0  0  0  0  0999 V2000
    8.0319    2.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8722    2.1609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.0917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931    0.0917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.4083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610    0.0917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    1.3964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    1.0917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -0.4151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9229    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -1.9775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1493    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242    0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489   -2.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -0.7535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -0.8276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972    0.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    2.0667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    2.0667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -0.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -0.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    1.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.0302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -1.3343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1087   -2.2886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    2.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    2.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787    0.5801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    1.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.5896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361    0.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4476    2.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    2.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -2.9799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6513   -3.5975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689   -2.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.6264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7146    1.0611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5074    1.1431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -0.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4382    1.9078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
  1 48  1  0  0  0  0
 12  2  1  1  0  0  0
  2 49  1  0  0  0  0
  3 20  2  0  0  0  0
  4 25  1  0  0  0  0
  4 57  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  1  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  6  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  1  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  6  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  1  1  0  0  0
 14 22  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 17 23  1  6  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 26  2  0  0  0  0
 22 47  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 27  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
M  END

$$$$
D08PSU
  -OEChem-10101305022D

 53 54  0     1  0  0  0  0  0999 V2000
    8.0622    3.4720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5280    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.9720    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.5622    4.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    2.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.3940    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5280    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.4282   -1.8940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -0.1620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.9720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    1.4720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    1.9720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.0280    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -1.0280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -1.5280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    1.4720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -2.5280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -3.0280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -2.5280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -1.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.1620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.7180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -0.9204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -1.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    3.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -4.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  2  0  0  0  0
  1 17  2  0  0  0  0
  1 24  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  2  0  0  0  0
  2 20  2  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  2  0  0  0  0
  3 23  2  0  0  0  0
  4 25  1  0  0  0  0
 29  4  1  6  0  0  0
  5 28  1  0  0  0  0
  5 31  1  0  0  0  0
  6 29  1  0  0  0  0
  6 34  1  0  0  0  0
 26  7  1  6  0  0  0
  7 50  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 51  1  0  0  0  0
 32 10  1  6  0  0  0
 10 52  1  0  0  0  0
 11 33  1  0  0  0  0
 11 53  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 36  2  0  0  0  0
 24 27  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  1  0  0  0  0
 26 38  1  0  0  0  0
 27 31  1  0  0  0  0
 27 39  1  0  0  0  0
 28 35  1  6  0  0  0
 28 40  1  0  0  0  0
 29 30  1  0  0  0  0
 29 41  1  0  0  0  0
 30 32  1  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 33  1  0  0  0  0
 32 44  1  0  0  0  0
 33 34  1  0  0  0  0
 33 45  1  0  0  0  0
 34 36  1  0  0  0  0
 34 46  1  0  0  0  0
 35 47  1  0  0  0  0
 35 48  1  0  0  0  0
M  CHG  4  13  -1  15  -1  18  -1  21  -1
M  END

$$$$
D08QAC
  -OEChem-04152122282D

  7  0  0     0  0  0  0  0  0999 V2000
    2.8660    1.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  7   1   3   2   3   3   2   4  -2   5  -2   6  -2   7  -2
M  END

$$$$
D08QCJ
  -OEChem-10121501252D

 21 23  0     0  0  0  0  0  0999 V2000
    7.8007   -0.6970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497    0.6120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497   -1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6581   -1.5957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3023    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END

$$$$
D08QGD
          01210515472D 1   1.00000     0.00000     0

  7  5  0     0  0            999 V2000
    4.7667   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7667   -3.7292    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1542   -2.6625    0.0000 C   0  0  3  0  0  0           0  0  0
    5.3792   -2.6625    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1542   -1.9500    0.0000 O   0  0  0  0  0  0           0  0  0
    6.4792   -2.5750    0.0000 N   0  0  0  0  0  0           0  0  0
    3.5375   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  5  3  1  0     0  0
  7  3  1  0     0  0
M  END

$$$$
D08QIP
  -OEChem-10121500142D

 59 63  0     0  0  0  0  0  0999 V2000
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    2.5000    2.5896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5859   -3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4345   -5.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4229   -6.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1549   -6.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1952   -3.8869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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  2 33  1  0  0  0  0
  3 26  2  0  0  0  0
  4 29  2  0  0  0  0
  5 18  1  0  0  0  0
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  5 47  1  0  0  0  0
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  6 36  2  0  0  0  0
  7  9  2  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 59  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 18  1  0  0  0  0
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 16 24  1  0  0  0  0
 16 45  1  0  0  0  0
 17 25  2  0  0  0  0
 17 46  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  2  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  2  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 48  1  0  0  0  0
 23 32  2  0  0  0  0
 23 49  1  0  0  0  0
 24 34  2  0  0  0  0
 24 50  1  0  0  0  0
 25 34  1  0  0  0  0
 25 51  1  0  0  0  0
 26 35  1  0  0  0  0
 27 30  1  0  0  0  0
 27 52  1  0  0  0  0
 28 31  2  0  0  0  0
 28 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
M  END

$$$$
D08QJS
  -OEChem-04152110102D

 45 45  0     1  0  0  0  0  0999 V2000
    4.4594    5.1200    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    1.7320    8.4629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3301    9.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 20  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END

$$$$
D08QKJ
          03040800132D 1   1.00000     0.00000     0

 28 32  0     1  0            999 V2000
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 15 20  1  0     0  0
 16 21  1  0     0  0
 16 22  1  1     0  0
 19 23  1  0     0  0
 20 24  2  0     0  0
  7 13  1  0     0  0
 10 11  1  0     0  0
 15 19  2  0     0  0
 16 18  1  0     0  0
 23 24  1  0     0  0
  1 25  1  6     0  0
  2 26  1  1     0  0
  5 27  1  6     0  0
  7 28  1  6     0  0
M  END

$$$$
D08QME
  -OEChem-04152109082D

 38 37  0     1  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 37  1  0  0  0  0
  2 12  1  0  0  0  0
  2 38  1  0  0  0  0
  5  3  1  1  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  6  4  1  1  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  END

$$$$
D08QMX
  -OEChem-10191522532D

 44 47  0     1  0  0  0  0  0999 V2000
    9.1857    2.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -2.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    0.8575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9288   -0.1425    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628   -0.6425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1968   -0.1425    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750    1.1623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628    1.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -0.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968    0.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    1.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2868   -0.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599   -0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3433   -2.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -1.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0188   -0.9877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022   -1.0618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9329    0.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    1.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4613    1.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6643    1.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6240   -1.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124   -0.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    1.4401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862    0.7499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9195   -0.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9195    0.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969   -2.2644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6880   -1.5685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5488    1.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    2.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3088    1.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835   -2.6877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5818   -2.6846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    2.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719    0.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457   -2.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787   -0.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 40  1  0  0  0  0
  2 20  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  1  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  6  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
M  END

$$$$
D08RBC
  -OEChem-10121501152D

 45 47  0     1  0  0  0  0  0999 V2000
    9.6504    1.8609    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400    1.8378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.4846    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1030    0.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252    0.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2204    0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8178    1.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1332   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1176    1.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9432    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8404    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    2.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7171    0.5522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1257    1.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5110    0.5913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1024    0.0570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593   -2.6610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -2.4033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4319    1.7134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8405    2.2478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1969   -0.9233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    1.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.4794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    0.0267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8638    2.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    2.9799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3421    3.3793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426    2.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    1.5114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7539    0.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  3  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 18  2  0  0  0  0
 14 34  1  0  0  0  0
 15 19  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END

$$$$
D08RIB
  -OEChem-04152110412D

 36 33  0     1  0  0  0  0  0999 V2000
    9.4651    2.1900    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.3100    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6900    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3100    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    2.1900    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 19  1  0  0  0  0
  3 35  1  0  0  0  0
  4 20  1  0  0  0  0
  4 36  1  0  0  0  0
  5 19  2  0  0  0  0
  6 20  2  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 21  2  0  0  0  0
 10 22  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  CHG  4   1   1   2   1   7  -1   8  -1
M  END

$$$$
D08RID
  -OEChem-10101305032D

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120128  1  0  0  0  0
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121225  1  0  0  0  0
121226  1  0  0  0  0
122130  1  0  0  0  0
122227  1  0  0  0  0
122228  1  0  0  0  0
123131  1  0  0  0  0
123229  1  0  0  0  0
123230  1  0  0  0  0
124132  1  0  0  0  0
124231  1  0  0  0  0
124232  1  0  0  0  0
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125234  1  0  0  0  0
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127238  1  0  0  0  0
128136  1  0  0  0  0
128239  1  0  0  0  0
128240  1  0  0  0  0
M  CHG  8   9   1  10   1  11   1  12   1  13   1  14   1  15   1  16   1
M  CHG  8  49  -1  51  -1  53  -1  55  -1  57  -1  59  -1  61  -1  63  -1
M  END

$$$$
D08ROP
  -OEChem-10121500592D

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  6  8  1  0  0  0  0
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  6 22  1  0  0  0  0
  7 18  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 16 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D08SEI
  -OEChem-10101305032D

 60 63  0     1  0  0  0  0  0999 V2000
    2.0000   -5.3672    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.9629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    4.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.0969    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.0000   -3.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.0969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1340    2.5969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1340    1.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    2.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    1.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8660   -1.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    3.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    3.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7057    3.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5924    4.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    4.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3584    5.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2981    5.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -4.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    0.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    3.2169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    1.7045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219    1.0143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766    2.4892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781    3.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781    1.0143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766    1.7045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766   -0.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781    0.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219    0.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -0.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781   -1.9858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766   -1.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -1.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -1.9858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7310    3.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0098    4.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.2322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -3.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0544    3.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -3.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -5.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 19  1  0  0  0  0
  2 55  1  0  0  0  0
  3 19  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 21  3  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  6  0  0  0
  8  9  1  0  0  0  0
  8 18  1  1  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 16  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 51  1  0  0  0  0
 23 27  2  0  0  0  0
 23 52  1  0  0  0  0
 24 29  1  0  0  0  0
 24 53  1  0  0  0  0
 25 30  2  0  0  0  0
 25 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 31  2  0  0  0  0
 29 59  1  0  0  0  0
 30 31  1  0  0  0  0
 30 60  1  0  0  0  0
M  END

$$$$
D08SJZ
  -OEChem-10191522542D

 42 41  0     1  0  0  0  0  0999 V2000
    5.1432   -2.1168    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4112   -3.1168    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.7772   -3.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5451   -3.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9112   -2.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0092   -1.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6432   -2.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4112   -4.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9696   -1.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848   -0.1232    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2772   -2.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772   -1.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9508   -0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584    0.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    2.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736    4.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231   -1.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -2.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5334   -0.9780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2608   -0.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410    0.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    1.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098    1.7165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2824    0.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3486    2.2772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  2  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 33  1  0  0  0  0
  4 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 36  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END

$$$$
D08SKH
  -OEChem-10101305022D

 24 26  0     0  0  0  0  0  0999 V2000
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    3.7702    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -2.1267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -0.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062    1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862    2.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D08SVH
  -OEChem-10111523562D

 74 76  0     1  0  0  0  0  0999 V2000
    9.6565    3.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4103    1.4582    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.1535    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9939    0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    2.4087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  1  1  6  0  0  0
  1 58  1  0  0  0  0
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 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
M  END

$$$$
D08TEJ
          08260900312D 1   1.00000     0.00000     0

 32 35  0     1  0            999 V2000
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  1  2  1  0     0  0
  1  3  1  0     0  0
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  1  5  1  0     0  0
  2  6  1  0     0  0
  2  7  1  0     0  0
  2  8  1  1     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  2  0     0  0
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  7 14  1  0     0  0
 10 15  1  0     0  0
 10 16  2  0     0  0
 11 17  1  0     0  0
 13 18  1  0     0  0
 13 19  1  0     0  0
 15 20  1  0     0  0
 18 21  1  0     0  0
 19 22  1  0     0  0
 21 23  1  0     0  0
 21 24  1  0     0  0
 21 25  1  1     0  0
 23 26  2  0     0  0
 24 27  1  0     0  0
 26 28  1  0     0  0
 28 29  2  0     0  0
  6  9  1  0     0  0
 14 18  1  0     0  0
 22 23  1  0     0  0
 27 28  1  0     0  0
  6 30  1  6     0  0
 13 31  1  1     0  0
 18 32  1  6     0  0
M  END

$$$$
D08TPS
  -OEChem-10101305032D

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416418  2  0  0  0  0
416793  1  0  0  0  0
417418  1  0  0  0  0
417794  1  0  0  0  0
M  END

$$$$
D08UGJ
  -OEChem-10121500112D

 52 56  0     1  0  0  0  0  0999 V2000
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 11  1  1  1  0  0  0
  1 45  1  0  0  0  0
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 14 37  1  0  0  0  0
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 17 40  1  0  0  0  0
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 19 23  2  0  0  0  0
 20 42  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END

$$$$
D08UMH
  -OEChem-10101305032D

 32 33  0     1  0  0  0  0  0999 V2000
    5.4641    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
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  6  9  1  0  0  0  0
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  7 11  1  0  0  0  0
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  7 20  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D08USJ
  -OEChem-10101305022D

 35 35  0     0  0  0  0  0  0999 V2000
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  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  2  0  0  0  0
 10 27  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D08USU
  -OEChem-10101305022D

 41 43  0     1  0  0  0  0  0999 V2000
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    6.2542   -1.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5591   -2.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2064   -2.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0269   -0.4315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1372    2.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8094    2.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4159    1.3892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7507   -3.5149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735    2.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920   -0.4679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216    1.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 15  2  0  0  0  0
  4 18  1  0  0  0  0
  4 37  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  2  0  0  0  0
  7 22  1  0  0  0  0
  7 41  1  0  0  0  0
  8 22  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
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 14 10  1  1  0  0  0
 10 19  1  0  0  0  0
 10 35  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  6  0  0  0
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 12 16  1  0  0  0  0
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 13 18  1  6  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D08VRO
  -OEChem-10121501592D

 51 54  0     0  0  0  0  0  0999 V2000
    2.0000    0.4400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 48  1  0  0  0  0
 26 29  1  0  0  0  0
 26 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D08VRX
  -OEChem-10101305032D

115119  0     1  0  0  0  0  0999 V2000
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   18.1533    3.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0594    2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0594    3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6692   -4.0618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    2.6392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1971   -5.7009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2628    1.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0598    1.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923    4.5192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3933    4.4492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -5.4808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1461    1.1746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1461    4.4838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1053    4.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    5.6392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5951    1.9963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5951    3.6621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    5.9492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  2  0  0  0  0
  2 25  2  0  0  0  0
  3 30  2  0  0  0  0
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 18  7  1  6  0  0  0
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 16  8  1  1  0  0  0
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 21  9  1  1  0  0  0
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 31 12  1  6  0  0  0
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 29 76  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 77  1  0  0  0  0
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 39 45  1  0  0  0  0
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 40 46  2  0  0  0  0
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 42 45  2  0  0  0  0
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 46 48  1  0  0  0  0
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 47 54  2  0  0  0  0
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 48 50  1  0  0  0  0
 48 56  2  0  0  0  0
 49 51  1  0  0  0  0
 50 54  1  0  0  0  0
 50 57  2  0  0  0  0
 51 58  1  0  0  0  0
 51100  1  0  0  0  0
 52 55  2  0  0  0  0
 52101  1  0  0  0  0
 53 55  1  0  0  0  0
 53102  1  0  0  0  0
 54103  1  0  0  0  0
 55106  1  0  0  0  0
 56 59  1  0  0  0  0
 56107  1  0  0  0  0
 57 60  1  0  0  0  0
 57108  1  0  0  0  0
 58109  1  0  0  0  0
 58110  1  0  0  0  0
 58111  1  0  0  0  0
 59 60  2  0  0  0  0
 59112  1  0  0  0  0
 60113  1  0  0  0  0
M  END

$$$$
D08VSI
  -OEChem-10101305032D

 54 56  0     0  0  0  0  0  0999 V2000
    9.6906   -0.5976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1906   -1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6906    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -2.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -0.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6906    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1906    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818   -2.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818   -0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1906    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6906    2.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6906    2.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1906   -1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1906    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1906    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1906   -1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906   -2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1906   -1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5205   -0.9386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0706    1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -0.4247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568    0.0574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -2.9846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7157    1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2733    0.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6656    1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6656    2.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2733    3.0786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    3.4771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3955   -1.8256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3955   -1.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
 10 40  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
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 13 14  1  0  0  0  0
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 13 47  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 48  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 21  2  0  0  0  0
 17 50  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END

$$$$
D08VXL
          10170700152D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
   -1.1583    0.4458    0.0000 N   0  3  0  0  0  0           0  0  0
   -1.5917   -1.0458    0.0000 N   0  0  0  0  0  0           0  0  0
    0.3833    0.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8958   -0.9667    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.9750    1.7625    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.3125   -1.9083    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7292   -2.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2042   -3.3750    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.5917    4.3833    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2417    3.1167    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5083    1.7125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6000   -3.9667    0.0000 O   0  0  0  0  0  0           0  0  0
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   -2.0500    4.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1208   -3.5167    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0042   -4.5667    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  3  2  0     0  0
  5  4  1  0     0  0
  6  1  1  0     0  0
  7  2  1  0     0  0
  8  5  1  0     0  0
  9  8  2  0     0  0
 10 14  1  0     0  0
 11  6  1  0     0  0
 12  6  1  0     0  0
 13  8  1  0     0  0
 14 12  1  0     0  0
 15 11  1  0     0  0
 16 13  1  0     0  0
 17 16  1  0     0  0
  7  4  1  0     0  0
 10 15  1  0     0  0
M  CHG  2   1   1   5  -1
M  END

$$$$
D08VXO
  -OEChem-10121501122D

 38 39  0     1  0  0  0  0  0999 V2000
    4.5981   -3.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2460    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  2  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 16 19  2  0  0  0  0
 16 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D08VYC
  -OEChem-02061503542D

  5  4  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
M  CHG  3   2  -1   3  -1   4  -1
M  END

$$$$
D08VYV
  -OEChem-10111523472D

 42 42  0     0  0  0  0  0  0999 V2000
    6.3301   -3.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2520    1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5762    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  0  0  0  0
  6 18  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 35  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 19  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D08WYM
  -OEChem-10121500152D

179186  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D08XAC
  -OEChem-04152109592D

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M  END

$$$$
D08XFV
  -OEChem-10121501162D

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 27 50  1  0  0  0  0
M  END

$$$$
D08XYX
  -OEChem-04152109562D

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375390  1  0  0  0  0
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377766  1  0  0  0  0
378394  1  0  0  0  0
378768  1  0  0  0  0
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379387  1  1  0  0  0
379393  1  0  0  0  0
379771  1  0  0  0  0
381772  1  0  0  0  0
381773  1  0  0  0  0
381774  1  0  0  0  0
384399  1  0  0  0  0
384779  1  0  0  0  0
384780  1  0  0  0  0
385391  2  0  0  0  0
385782  1  0  0  0  0
386391  1  0  0  0  0
386783  1  0  0  0  0
388398  1  6  0  0  0
388401  1  0  0  0  0
388785  1  0  0  0  0
389787  1  0  0  0  0
389788  1  0  0  0  0
389789  1  0  0  0  0
390790  1  0  0  0  0
390791  1  0  0  0  0
390792  1  0  0  0  0
392404  2  0  0  0  0
392405  1  0  0  0  0
393403  1  0  0  0  0
393793  1  0  0  0  0
394406  2  0  0  0  0
394407  1  0  0  0  0
395402  1  0  0  0  0
396400  1  0  0  0  0
397408  1  6  0  0  0
397409  1  0  0  0  0
397796  1  0  0  0  0
398412  1  0  0  0  0
398797  1  0  0  0  0
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400410  1  6  0  0  0
400799  1  0  0  0  0
402804  1  0  0  0  0
402805  1  0  0  0  0
403806  1  0  0  0  0
403807  1  0  0  0  0
403808  1  0  0  0  0
404413  1  0  0  0  0
404809  1  0  0  0  0
405414  2  0  0  0  0
405810  1  0  0  0  0
406415  1  0  0  0  0
406812  1  0  0  0  0
407416  2  0  0  0  0
407813  1  0  0  0  0
408417  1  0  0  0  0
408814  1  0  0  0  0
408815  1  0  0  0  0
410819  1  0  0  0  0
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411422  1  6  0  0  0
411423  1  0  0  0  0
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413418  2  0  0  0  0
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415421  2  0  0  0  0
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416827  1  0  0  0  0
417427  2  0  0  0  0
417428  1  0  0  0  0
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419424  1  6  0  0  0
419831  1  0  0  0  0
421832  1  0  0  0  0
422431  1  0  0  0  0
422834  1  0  0  0  0
422835  1  0  0  0  0
424430  1  0  0  0  0
424837  1  0  0  0  0
424838  1  0  0  0  0
425432  1  6  0  0  0
425433  1  0  0  0  0
425839  1  0  0  0  0
426429  1  0  0  0  0
427435  1  0  0  0  0
427842  1  0  0  0  0
428436  2  0  0  0  0
428843  1  0  0  0  0
429437  1  1  0  0  0
429845  1  0  0  0  0
430434  1  0  0  0  0
430846  1  0  0  0  0
430847  1  0  0  0  0
431439  2  0  0  0  0
431440  1  0  0  0  0
432441  1  0  0  0  0
432848  1  0  0  0  0
432849  1  0  0  0  0
434442  1  0  0  0  0
434852  1  0  0  0  0
434853  1  0  0  0  0
435438  2  0  0  0  0
435850  1  0  0  0  0
436438  1  0  0  0  0
436851  1  0  0  0  0
437854  1  0  0  0  0
437855  1  0  0  0  0
437856  1  0  0  0  0
439446  1  0  0  0  0
439858  1  0  0  0  0
440447  2  0  0  0  0
440859  1  0  0  0  0
442861  1  0  0  0  0
442862  1  0  0  0  0
443449  1  0  0  0  0
443451  1  1  0  0  0
443863  1  0  0  0  0
444445  1  0  0  0  0
444448  1  1  0  0  0
444864  1  0  0  0  0
446450  2  0  0  0  0
446865  1  0  0  0  0
447450  1  0  0  0  0
447866  1  0  0  0  0
448452  1  0  0  0  0
448867  1  0  0  0  0
448868  1  0  0  0  0
450870  1  0  0  0  0
451871  1  0  0  0  0
451872  1  0  0  0  0
451873  1  0  0  0  0
452453  1  0  0  0  0
452875  1  0  0  0  0
452876  1  0  0  0  0
453454  1  0  0  0  0
453881  1  0  0  0  0
453882  1  0  0  0  0
454883  1  0  0  0  0
454884  1  0  0  0  0
M  END

$$$$
D08YIN
  -OEChem-10101305022D

 13 13  0     0  0  0  0  0  0999 V2000
    2.8660    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END

$$$$
D08YPZ
  -OEChem-02061504062D

  5  2  0     0  0  0  0  0  0999 V2000
    3.4030    0.5600    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0600    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D08ZBU
  -OEChem-04152122342D

366375  0     1  0  0  0  0  0999 V2000
   19.9066   15.3223    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
   20.0291    3.6683    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
   21.4163   14.4733    0.0000 Co  1  1  0  0  0  0  0  0  0  0  0  0
   20.8952    4.1683    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.1631    4.1683    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.5542    7.5158    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.7014    8.3958    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   21.2710    8.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8793   16.0864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4653   15.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6259   19.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0167    9.7155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8886   20.4071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9795   10.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0127    7.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0143   17.2919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0528   11.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9954    6.7214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8088    8.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4871    6.5180    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.9972    6.6852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7119   15.2751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4814   14.9463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8864   21.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8330   11.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1780   21.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087   22.8926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618   15.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104    8.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924    7.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2892    7.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136    9.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605    5.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7764    6.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065    5.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0138   16.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9323   14.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7860   16.2498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7240   14.4983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0230   11.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0160   10.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8799   14.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2388   17.6956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1001   14.2466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2140   20.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3165   10.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1776   20.1378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7812   19.0081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5364   10.5349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680   17.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0066   16.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9740   18.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5434   17.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3182   15.9232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6732   13.2249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104   11.5604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1015   20.2087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2897   22.9890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1037   23.9192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6131   16.6593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241    4.5922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7193    3.7898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4161   14.4959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1484   16.0434    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.1082   14.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7375   16.8260    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.1172   17.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0768   13.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3550   17.4436    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.6962   13.7362    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.6386   15.3306    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   20.6621   17.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3137   13.1187    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.6208   13.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6101   14.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6101   16.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9000   17.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4242   17.5055    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.8380   13.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0211   13.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4184   15.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0416   16.8880    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.4035   13.2013    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.0417   15.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9178   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9527   17.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4656   11.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9056   16.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1996   18.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7059   13.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871   12.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3662   12.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0187   18.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0325   17.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8499   18.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9135   10.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7980   12.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0200   13.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7325   13.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7361   12.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2663   18.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0236   17.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7206    9.4111    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   23.4114   17.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  5   1   2   3   3  20  -1  71  -1 189  -1
M  ISO  1   3  60
M  END

$$$$
D08ZEB
  -OEChem-10111523442D

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    3.7320   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
M  END

$$$$
D08ZFJ
          05070900242D 1   1.00000     0.00000     0

 13 12  0     0  0            999 V2000
    4.3583   -0.9208    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9958   -1.6917    0.0000 *   0  0  0  0  0  0           0  0  0
    4.0041   -2.7209    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7125   -2.7209    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9314   -2.0472    0.0000 N   0  3  0  0  0  0           0  0  0
    4.3583   -1.6308    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7853   -2.0472    0.0000 N   0  0  3  0  0  0           0  0  0
    5.5452   -1.6951    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1586   -2.0492    0.0000 C   0  0  3  0  0  0           0  0  0
    6.7721   -1.6951    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1586   -2.7576    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3855   -2.0492    0.0000 *   0  0  0  0  0  0           0  0  0
    5.3583   -3.6875    0.0000 Cl  0  5  0  0  0  0           0  0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  3  1  0     0  0
  6  1  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  7  2  1  0     0  0
  9 11  1  0     0  0
  3  4  2  0     0  0
 10 12  1  0     0  0
  5  8  1  0     0  0
  4  5  1  0     0  0
M  CHG  2   5   1  13  -1
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT
M  SAL   1 10   1   3   4   5   6   7   8   9  10  11
M  SBL   1  2   7  10
M  SDI   1  4    3.3500   -2.2600    3.3500   -1.4500
M  SDI   1  4    6.9700   -1.4500    6.9700   -2.2600
M  END

$$$$
D09AAK
  -OEChem-03141904542D

 54 57  0     0  0  0  0  0  0999 V2000
    9.7942    2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1904   -1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4202   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4202    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1880   -1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3663   -1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5965   -0.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7504    0.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 13  2  0  0  0  0
  4 27  2  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  2  0  0  0  0
  7 19  1  0  0  0  0
  7 26  1  0  0  0  0
  7 44  1  0  0  0  0
  8 23  1  0  0  0  0
  8 27  1  0  0  0  0
  8 45  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 49  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  2  0  0  0  0
 14 20  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 50  1  0  0  0  0
 30 32  2  0  0  0  0
 30 51  1  0  0  0  0
 31 33  2  0  0  0  0
 31 52  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END

$$$$
D09AMZ
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    2.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 13 21  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
M  END

$$$$
D09ANG
  -OEChem-04152109272D

 65 65  0     1  0  0  0  0  0999 V2000
   12.2970   -2.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4491   -4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7689    2.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863   -2.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7279   -2.4139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5369   -1.8261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3459   -2.4139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0369   -3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7768   -2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0369   -3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0337   -2.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -2.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4029   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2689    1.1739    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4029    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   -3.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7689    0.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1350    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0010    3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -3.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0010    4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6309   -1.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9844   -1.5446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429   -1.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9721   -3.9815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6433   -3.4938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2882   -1.7231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9999   -0.5161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7426   -3.3214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222   -3.1557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3737   -1.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5940   -2.0832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9398   -0.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    1.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7923    0.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7577   -2.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0484   -3.6815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8280   -3.5158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470    1.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7455    1.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2320   -0.0021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0789   -0.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3059    0.6179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6795   -2.2776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998   -2.4434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9229    3.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5244    2.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1489    2.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2130    2.5913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6116    3.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -4.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1338   -3.8759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6210    4.1739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0010    4.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3810    4.1739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -2.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -3.3537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -4.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 43  1  0  0  0  0
  2 11  2  0  0  0  0
  3 16  1  0  0  0  0
  3 55  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  6  0  0  0
  6 11  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  1  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 12 15  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 24  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 26  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
M  END

$$$$
D09BHB
  -OEChem-10121501262D

 34 35  0     0  0  0  0  0  0999 V2000
    2.0000    0.6506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    3.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8038    2.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.6451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    2.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    2.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    2.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    0.9222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745   -0.3626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2647    3.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199    2.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5083    2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327    2.7291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6786    1.8535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2393    3.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 18  1  0  0  0  0
  2 34  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 18  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D09BIW
          05070800062D 1   1.00000     0.00000     0

 49 42  0     0  0            999 V2000
   -0.6276   -0.0897    0.0000 C   0  0  3  0  0  0           0  0  0
    0.0966   -0.5069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3483    0.3276    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0448   -0.8103    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2138    0.6241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8069   -0.0931    0.0000 N   0  3  0  0  0  0           0  0  0
   -2.0655   -0.0828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5310    0.3241    0.0000 C   0  5  0  0  0  0           0  0  0
    2.8724    0.3000    0.0000 Tc  0  3  0  0  0  0           0  0  0
   -0.6276   -2.5241    0.0000 C   0  0  3  0  0  0           0  0  0
    0.0966   -2.9413    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3483   -2.1068    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0448   -3.2447    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2138   -1.8103    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8069   -2.5275    0.0000 N   0  3  0  0  0  0           0  0  0
   -2.0655   -2.5172    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5310   -2.1103    0.0000 C   0  5  0  0  0  0           0  0  0
    4.4689   -2.5241    0.0000 C   0  0  3  0  0  0           0  0  0
    5.1931   -2.9413    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7482   -2.1068    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0517   -3.2447    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8827   -1.8103    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9034   -2.5275    0.0000 N   0  3  0  0  0  0           0  0  0
    3.0310   -2.5172    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6275   -2.1103    0.0000 C   0  5  0  0  0  0           0  0  0
   -0.6276   -4.9585    0.0000 C   0  0  3  0  0  0           0  0  0
    0.0966   -5.3757    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3483   -4.5412    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0448   -5.6791    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2138   -4.2447    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8069   -4.9619    0.0000 N   0  3  0  0  0  0           0  0  0
   -2.0655   -4.9516    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5310   -4.5447    0.0000 C   0  5  0  0  0  0           0  0  0
    4.4689   -4.9585    0.0000 C   0  0  3  0  0  0           0  0  0
    5.1931   -5.3757    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7482   -4.5412    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0517   -5.6791    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8827   -4.2447    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9034   -4.9619    0.0000 N   0  3  0  0  0  0           0  0  0
    3.0310   -4.9516    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6275   -4.5447    0.0000 C   0  5  0  0  0  0           0  0  0
   -0.6276   -7.3929    0.0000 C   0  0  3  0  0  0           0  0  0
    0.0966   -7.8101    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3483   -6.9756    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0448   -8.1135    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2138   -6.6791    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8069   -7.3963    0.0000 N   0  3  0  0  0  0           0  0  0
   -2.0655   -7.3860    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5310   -6.9791    0.0000 C   0  5  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  6  8  3  0     0  0
 10 11  1  0     0  0
 10 12  1  0     0  0
 10 13  1  0     0  0
 10 14  1  0     0  0
 11 15  1  0     0  0
 12 16  1  0     0  0
 15 17  3  0     0  0
 18 19  1  0     0  0
 18 20  1  0     0  0
 18 21  1  0     0  0
 18 22  1  0     0  0
 19 23  1  0     0  0
 20 24  1  0     0  0
 23 25  3  0     0  0
 26 27  1  0     0  0
 26 28  1  0     0  0
 26 29  1  0     0  0
 26 30  1  0     0  0
 27 31  1  0     0  0
 28 32  1  0     0  0
 31 33  3  0     0  0
 34 35  1  0     0  0
 34 36  1  0     0  0
 34 37  1  0     0  0
 34 38  1  0     0  0
 35 39  1  0     0  0
 36 40  1  0     0  0
 39 41  3  0     0  0
 42 43  1  0     0  0
 42 44  1  0     0  0
 42 45  1  0     0  0
 42 46  1  0     0  0
 43 47  1  0     0  0
 44 48  1  0     0  0
 47 49  3  0     0  0
M  CHG  8   6   1   8  -1   9   1  15   1  17  -1  23   1  25  -1  31   1
M  CHG  5  33  -1  39   1  41  -1  47   1  49  -1
M  ISO  1   9  99
M  END

$$$$
D09CGE
  -OEChem-10101305022D

 51 52  0     0  0  0  0  0  0999 V2000
    8.0622    7.7500    0.0000 F  -1  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    4.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    5.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    6.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -7.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    7.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    7.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -7.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -8.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 15  1  0  0  0  0
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 12 18  1  0  0  0  0
 12 21  1  0  0  0  0
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 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 35  1  0  0  0  0
 16 19  1  0  0  0  0
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 17 20  2  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  ISO  1   1  18
M  END

$$$$
D09CIQ
  SciTegic11301210262D

 20 20  0  0  0  0            999 V2000
   -1.1583   -0.1167    0.0000 N   0  0
   -0.4250    0.3000    0.0000 N   0  0
   -1.8833    0.3000    0.0000 C   0  0
    1.7542    1.5625    0.0000 C   0  0
   -0.4250    1.1458    0.0000 C   0  0
   -2.6125   -0.1167    0.0000 N   0  0
    1.0292    1.1458    0.0000 N   0  0
    0.3000    1.5625    0.0000 N   0  0
    1.7542    2.4083    0.0000 O   0  0
   -2.6125   -0.9542    0.0000 C   0  0
   -1.8833    1.1458    0.0000 C   0  0
   -1.1583    1.5625    0.0000 C   0  0
    2.4875    1.1458    0.0000 O   0  0
   -3.3458   -1.3792    0.0000 C   0  0
   -3.3458    0.3000    0.0000 C   0  0
   -4.0708   -0.9542    0.0000 O   0  0
    3.2167    1.5625    0.0000 C   0  0
   -3.3458   -2.2167    0.0000 C   0  0
   -3.3458    1.1458    0.0000 C   0  0
    3.9417    1.1458    0.0000 C   0  0
  2  1  1  0
  3  1  2  0
  4  7  1  0
  5  2  2  0
  6  3  1  0
  7  8  1  0
  8  5  1  0
  9  4  2  0
 10  6  1  0
 11  3  1  0
 12 11  2  0
 13  4  1  0
 14 10  1  0
 15  6  1  0
 16 14  1  0
 17 13  1  0
 18 14  1  0
 19 15  1  0
 20 17  1  0
  5 12  1  0
M  END

$$$$
D09COD
          01210517122D 1   1.00000     0.00000     0

 63 62  0     1  0            999 V2000
    1.1500   -3.2042    0.0000 C   0  0  2  0  0  0           0  0  0
    1.7667   -2.8542    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0042   -2.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8625   -3.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5375   -2.8417    0.0000 C   0  0  1  0  0  0           0  0  0
    1.1292   -3.9167    0.0000 C   0  0  1  0  0  0           0  0  0
    5.4792   -2.8792    0.0000 N   0  0  0  0  0  0           0  0  0
    3.6250   -3.2417    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.0875   -3.1917    0.0000 N   0  0  0  0  0  0           0  0  0
    6.7167   -2.8792    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5667   -5.3792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3375   -5.3792    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1000   -3.2417    0.0000 C   0  0  1  0  0  0           0  0  0
    2.3792   -3.2167    0.0000 C   0  0  1  0  0  0           0  0  0
    6.7167   -5.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2417   -2.8792    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.7000   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9542   -5.0167    0.0000 C   0  0  1  0  0  0           0  0  0
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    0.5042   -4.2542    0.0000 C   0  0  2  0  0  0           0  0  0
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    6.1000   -5.3792    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6958   -2.1167    0.0000 O   0  0  0  0  0  0           0  0  0
   10.4167   -2.1792    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.1000   -3.9542    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0708   -1.7667    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3292   -3.2417    0.0000 N   0  0  0  0  0  0           0  0  0
    9.1792   -2.1667    0.0000 N   0  0  0  0  0  0           0  0  0
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   -0.7208   -4.2167    0.0000 O   0  0  0  0  0  0           0  0  0
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   10.4667   -0.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1667   -1.7792    0.0000 H   0  0  0  0  0  0           0  0  0
  1  2  1  1     0  0
  3 14  1  0     0  0
  4 16  1  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
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  5  9  1  1     0  0
 10 13  1  0     0  0
 11 18  1  0     0  0
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 13  7  1  0     0  0
 14  2  1  0     0  0
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 16  8  1  0     0  0
 17  9  1  0     0  0
 18 12  1  0     0  0
 19 32  1  0     0  0
 20  6  1  0     0  0
 21  4  2  0     0  0
 22  3  2  0     0  0
 23 10  2  0     0  0
 24 11  2  0     0  0
 25 15  2  0     0  0
 26 17  2  0     0  0
 27 19  2  0     0  0
 28  5  1  0     0  0
 13 29  1  1     0  0
 30 28  2  0     0  0
 31 10  1  0     0  0
 32 44  1  0     0  0
 33 29  1  0     0  0
  6 34  1  6     0  0
 35 11  1  0     0  0
 20 36  1  6     0  0
 37 38  1  0     0  0
 38 20  1  0     0  0
 39 19  1  0     0  0
 40 17  1  0     0  0
 18 41  1  1     0  0
 14 42  1  1     0  0
 16 43  1  1     0  0
 44 47  1  0     0  0
 45 39  1  0     0  0
 46 41  1  0     0  0
 47 46  1  0     0  0
 48 49  1  0     0  0
 49 58  1  0     0  0
 50 61  1  0     0  0
 51 50  1  0     0  0
 52 56  1  0     0  0
 53 52  1  0     0  0
 54 53  1  0     0  0
 55 54  1  0     0  0
 56 51  1  0     0  0
 57 59  1  0     0  0
 58 55  1  0     0  0
 59 45  1  0     0  0
 60 57  1  0     0  0
 61 60  1  0     0  0
 62 48  1  0     0  0
 63 28  1  0     0  0
M  END

$$$$
D09CPR
  -OEChem-10101305032D

 42 44  0     1  0  0  0  0  0999 V2000
    9.6813    0.4604    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0163   -1.5613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3212   -2.8518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9685   -2.3166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891   -0.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3778    1.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7303   -0.8486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0163    0.8641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7303    0.1514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2691   -0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813   -1.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7220    0.1555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7220   -0.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0781    0.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0781   -0.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9903   -2.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0499    0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442    1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7137   -1.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  1  0  0  0  0
  3 35  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
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 12  8  1  1  0  0  0
  8 17  1  0  0  0  0
  8 34  1  0  0  0  0
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  9 25  1  6  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 11 26  1  0  0  0  0
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 12 27  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 18  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END

$$$$
D09CZA
  -OEChem-10121501092D

 70 71  0     1  0  0  0  0  0999 V2000
    7.6849    5.4571    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6849    4.4571    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    4.4571    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7362   -1.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 34 70  1  0  0  0  0
M  END

$$$$
D09DBR
  -OEChem-10101305022D

 80 81  0     1  0  0  0  0  0999 V2000
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 37 78  1  0  0  0  0
M  END

$$$$
D09DHY
  -OEChem-04152108442D

 54 56  0     1  0  0  0  0  0999 V2000
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 21 24  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
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 26 44  1  0  0  0  0
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 27 46  1  0  0  0  0
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 27 48  1  0  0  0  0
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 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D09DWL
  -OEChem-10121500232D

 38 40  0     0  0  0  0  0  0999 V2000
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    2.8660   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  2  0  0  0  0
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 10 24  1  0  0  0  0
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 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D09EBS
  -OEChem-10111523242D

 43 44  0     0  0  0  0  0  0999 V2000
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 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
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 18 39  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END

$$$$
D09EGZ
  -OEChem-10121500382D

 48 49  0     1  0  0  0  0  0999 V2000
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    9.5319    2.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 30  1  0  0  0  0
  4 17  2  0  0  0  0
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  5  6  1  0  0  0  0
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  5 23  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
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  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  2  0  0  0  0
 16 44  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 22  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
M  END

$$$$
D09ELP
  -OEChem-10101305022D

 53 54  0     1  0  0  0  0  0999 V2000
   11.6451    1.4836    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1691    0.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2163   -2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8363   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5683   -0.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 16  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 20  2  0  0  0  0
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 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
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 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 30  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END

$$$$
D09FAZ
  -OEChem-10121500582D

 29 30  0     1  0  0  0  0  0999 V2000
    5.0298   -1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.9766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3548    1.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2208    3.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 10  2  1  1  0  0  0
  2 24  1  0  0  0  0
 11  3  1  1  0  0  0
  3 25  1  0  0  0  0
  4 14  1  0  0  0  0
  4 27  1  0  0  0  0
  5 15  2  0  0  0  0
 13  6  1  6  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
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  7 17  2  0  0  0  0
  8 16  2  0  0  0  0
  8 17  1  0  0  0  0
  9 17  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 14  1  6  0  0  0
 12 21  1  0  0  0  0
 13 20  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D09FJB
  -OEChem-10121501012D

 42 43  0     0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
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 13 30  1  0  0  0  0
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 15 16  2  0  0  0  0
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 16 36  1  0  0  0  0
 17 20  2  0  0  0  0
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 18 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D09GDD
  -OEChem-10121500442D

 48 50  0     0  0  0  0  0  0999 V2000
    2.0000    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2163   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 30  1  0  0  0  0
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 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 30 43  1  0  0  0  0
 31 44  1  0  0  0  0
 33 46  1  0  0  0  0
 33 47  1  0  0  0  0
 33 48  1  0  0  0  0
M  END

$$$$
D09GFL
  -OEChem-10121501262D

 53 55  0     1  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4440   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4440   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3100   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 34  1  0  0  0  0
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 11 36  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
M  END

$$$$
D09GOS
  -OEChem-10111523442D

 42 45  0     0  0  0  0  0  0999 V2000
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 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D09GRX
  -OEChem-03141904512D

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 36 60  1  0  0  0  0
M  END

$$$$
D09GUJ
  -OEChem-03101900402D

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 39 80  1  0  0  0  0
 40 74  1  0  0  0  0
 40 75  1  0  0  0  0
 40 76  1  0  0  0  0
M  END

$$$$
D09GYT
  -OEChem-10121500302D

 32 32  0     1  0  0  0  0  0999 V2000
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 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END

$$$$
D09HDR
  -OEChem-10121501062D

 80 85  0     1  0  0  0  0  0999 V2000
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 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
M  END

$$$$
D09HKX
  -OEChem-04152109362D

 57 60  0     1  0  0  0  0  0999 V2000
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 25 30  1  0  0  0  0
 26 29  1  0  0  0  0
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 33 52  1  0  0  0  0
 35 53  1  0  0  0  0
 35 54  1  0  0  0  0
 35 55  1  0  0  0  0
M  CHG  2   4  -1  11   1
M  END

$$$$
D09HNR
  -OEChem-10101305022D

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 48110  1  0  0  0  0
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 50115  1  0  0  0  0
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 51118  1  0  0  0  0
 52119  1  0  0  0  0
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 55120  1  0  0  0  0
 56121  1  0  0  0  0
 57 58  1  0  0  0  0
 57122  1  0  0  0  0
 58123  1  0  0  0  0
M  END

$$$$
D09HNV
  -OEChem-10101305032D

 73 77  0     0  0  0  0  0  0999 V2000
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   13.1668    4.6473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6995   -0.9302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -3.6964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8777    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5205    5.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -5.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4999    5.8051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9067    5.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3513    3.1629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1089    2.9153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0253    5.7193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2677    5.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8767    3.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4700    3.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2107    4.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6175    4.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2732    4.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7520    4.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0175    5.4602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 26  2  0  0  0  0
  3 36  1  0  0  0  0
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 32 33  1  0  0  0  0
 32 36  1  0  0  0  0
 33 65  1  0  0  0  0
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 37 68  1  0  0  0  0
 38 39  1  0  0  0  0
 38 69  1  0  0  0  0
 39 70  1  0  0  0  0
 40 71  1  0  0  0  0
 40 72  1  0  0  0  0
 40 73  1  0  0  0  0
M  END

$$$$
D09HTS
  -OEChem-04152108502D

144152  0     1  0  0  0  0  0999 V2000
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   12.0024    2.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1364    0.2798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D09HVL
  -OEChem-10121500512D

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M  END

$$$$
D09IEE
  -OEChem-10121501422D

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 10 11  1  0  0  0  0
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 15 18  1  0  0  0  0
 15 41  1  0  0  0  0
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 17 22  1  0  0  0  0
 17 24  1  1  0  0  0
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 18 44  1  0  0  0  0
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 20 48  1  0  0  0  0
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 23 27  1  0  0  0  0
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 24 54  1  0  0  0  0
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 25 28  2  0  0  0  0
 25 56  1  0  0  0  0
 26 29  1  0  0  0  0
 26 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 61  1  0  0  0  0
 31 33  1  0  0  0  0
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 32 62  1  0  0  0  0
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 33 35  1  0  0  0  0
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 33 65  1  0  0  0  0
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 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
M  END

$$$$
D09IMS
  -OEChem-10101305022D

 45 49  0     1  0  0  0  0  0999 V2000
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    4.6660   -1.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5800    3.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8162    1.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660   -0.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4762    2.8448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
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  2  6  1  0  0  0  0
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  4  5  1  0  0  0  0
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 10 32  1  0  0  0  0
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 11 36  1  0  0  0  0
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 18 41  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 45  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D09IOI
  -OEChem-10111523382D

 38 41  0     0  0  0  0  0  0999 V2000
    2.0000   -1.2559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.0358    2.3106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374   -0.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9064    0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0330    2.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725    1.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 26  1  0  0  0  0
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 10 11  1  0  0  0  0
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 16 33  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D09IPV
  -OEChem-10121501022D

 52 56  0     1  0  0  0  0  0999 V2000
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    5.3935   -0.6982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0135   -0.0782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068    3.0764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1508   -2.3472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153   -0.0058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1657   -2.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
  1 50  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  6  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  1  0  0  0
  8 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  6  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  2  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 22  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 25  3  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D09JBP
  -OEChem-10121501222D

 22 22  0     1  0  0  0  0  0999 V2000
    3.2601    0.6258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.9130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.6258    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2111    0.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4190    1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2974    0.3209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8308    0.9132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8801    1.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    1.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0255    1.7841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    2.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8126    2.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -1.9130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.5330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -1.9130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END

$$$$
D09JUG
  -OEChem-10121500352D

 28 29  0     1  0  0  0  0  0999 V2000
    4.6783   -0.1702    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.2315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.6345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    0.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988    1.1905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719    2.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249    1.8105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -1.0976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D09KDN
  -OEChem-10101305022D

 43 46  0     1  0  0  0  0  0999 V2000
    7.0468   -1.5407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.0407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.4538    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6267    0.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8540   -0.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.0407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6267   -1.7534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2653   -1.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0412   -2.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.0525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6241   -1.0699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8809   -2.0363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.0407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9211   -1.0449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9211   -0.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5932   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988   -2.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6256   -1.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933    2.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1311   -1.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6821   -1.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702   -0.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687   -1.6234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650   -2.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    0.9342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    0.9342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7902   -2.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5597   -2.7676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.5793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2890   -0.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6597    2.8274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8411    3.1416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5269    2.3231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 18  2  0  0  0  0
  5 23  1  0  0  0  0
  5 39  1  0  0  0  0
  6 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 17  9  1  1  0  0  0
  9 24  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 26  2  0  0  0  0
 13 14  1  0  0  0  0
 13 27  2  0  0  0  0
 15 28  2  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  6  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 24 25  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 27 40  1  0  0  0  0
 28 29  1  0  0  0  0
 29 41  1  0  0  0  0
 29 42  1  0  0  0  0
 29 43  1  0  0  0  0
M  END

$$$$
D09KDV
  Mrv0541 04051115152D          

  6  5  0  0  0  0            999 V2000
    1.2363    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2387   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8262   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END

$$$$
D09KGQ
  SciTegic01161211252D

 26 22  0  0  0  0            999 V2000
    4.4708   -6.6917    0.0000 P   0  0
    4.4833  -10.2375    0.0000 P   0  0
    3.8625   -7.7583    0.0000 C   0  0
    3.8708   -9.1792    0.0000 C   0  0
    3.2542   -8.1167    0.0000 C   0  0
    3.2542   -8.8250    0.0000 C   0  0
    3.8583   -7.0500    0.0000 O   0  0
    3.8708   -9.8875    0.0000 O   0  0
    4.4792   -8.1083    0.0000 C   0  0
    4.4833   -8.8208    0.0000 C   0  0
    5.1250   -7.0250    0.0000 O   0  5
    4.8167   -6.0750    0.0000 O   0  5
    5.1333   -9.8667    0.0000 O   0  5
    4.8667  -10.8292    0.0000 O   0  5
    4.1125   -6.0750    0.0000 O   0  0
    4.1250  -10.8500    0.0000 O   0  0
    6.0292   -5.9917    0.0000 Na  0  3
    6.0292   -7.0167    0.0000 Na  0  3
    6.0292   -9.7042    0.0000 Na  0  3
    6.0292  -10.8667    0.0000 Na  0  3
    2.6417   -7.7625    0.0000 C   0  0
    5.0917   -7.7500    0.0000 C   0  0
    2.6417   -9.1833    0.0000 C   0  0
    6.6542   -8.4000    0.0000 O   0  0
    2.0292   -8.1167    0.0000 C   0  0
    2.0292   -8.8292    0.0000 C   0  0
  2  8  1  0
  3  7  1  0
  4  6  1  0
  5  3  1  0
  6  5  1  0
  7  1  1  0
  8  4  1  0
  9  3  2  0
 10  9  1  0
 11  1  1  0
 12  1  1  0
 13  2  1  0
 14  2  1  0
 15  1  2  0
 16  2  2  0
 21  5  2  0
 22  9  1  0
 23  6  2  0
 25 21  1  0
 26 23  1  0
 10  4  2  0
 26 25  2  0
M  CHG  8  11  -1  12  -1  13  -1  14  -1  17   1  18   1  19   1  20   1
M  ENDM  END

$$$$
D09KKH
  SciTegic11301210262D

 80 83  0  0  1  0            999 V2000
   -3.0000    0.9333    0.0000 C   0  0
   -3.2958   -0.6375    0.0000 C   0  0  1  0  0  0
   -3.4583   -0.9167    0.0000 C   0  0  2  0  0  0
   -3.7708   -0.9167    0.0000 C   0  0  2  0  0  0
   -3.5583    0.6208    0.0000 C   0  0
   -3.2875    0.4708    0.0000 C   0  0
   -3.4583   -0.3667    0.0000 O   0  0
   -3.0083    0.6208    0.0000 O   0  0
   -3.9375   -0.6375    0.0000 C   0  0  1  0  0  0
   -3.5583    0.9333    0.0000 C   0  0
   -3.2833    1.0875    0.0000 C   0  0
    0.8042    0.6333    0.0000 O   0  0
    0.8000    0.9375    0.0000 C   0  0
   -3.7833   -0.3667    0.0000 C   0  0  1  0  0  0
   -3.8333    0.5000    0.0000 C   0  0
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 57 16  1  0
  3 58  1  1
 59 24  2  0
 60 24  1  0
 61 57  1  0
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 63 10  1  0
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 80 65  1  0
  5  6  1  0
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 52 55  2  0
 67 64  2  0
M  END

$$$$
D09KLR
  -OEChem-10121500022D

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 11 12  1  0  0  0  0
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 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

$$$$
D09KTS
  -OEChem-10121501022D

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 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END

$$$$
D09LBS
  -OEChem-10101305032D

100107  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D09LDR
  -OEChem-10121501212D

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M  END

$$$$
D09LNI
  -OEChem-10101305022D

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 22 34  1  0  0  0  0
M  END

$$$$
D09LPN
  -OEChem-04152109572D

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M  END

$$$$
D09LSX
  -OEChem-10101305022D

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M  END

$$$$
D09LWS
  -OEChem-10121500592D

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 14  4  1  1  0  0  0
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 14 37  1  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 16 21  2  0  0  0  0
 16 39  1  0  0  0  0
 17 23  1  0  0  0  0
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 20 22  2  0  0  0  0
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 21 22  1  0  0  0  0
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 25 47  1  0  0  0  0
 26 29  2  0  0  0  0
 26 48  1  0  0  0  0
 28 30  2  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
M  END

$$$$
D09LZT
  -OEChem-10191522592D

 47 49  0     1  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 17 21  2  0  0  0  0
 17 40  1  0  0  0  0
 18 22  1  0  0  0  0
 18 41  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D09MGR
  -OEChem-10121500002D

 39 41  0     0  0  0  0  0  0999 V2000
    8.0622   -3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
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 13 27  1  0  0  0  0
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 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
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 18 22  2  0  0  0  0
 18 33  1  0  0  0  0
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 20 34  1  0  0  0  0
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 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END

$$$$
D09MPU
  -OEChem-04152108382D

 77 76  0     1  0  0  0  0  0999 V2000
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   10.5390    9.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    5.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9420    7.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4050    6.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    6.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5424    3.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3395    3.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643    4.9597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8629    4.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    7.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4050    9.9720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7649    9.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    8.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849    8.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    6.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2099    4.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8490   10.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0759   11.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2290   11.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643   10.9597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5889    7.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5380   12.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118   12.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.8910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7769    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  2  0  0  0  0
  1 14  2  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  2  0  0  0  0
  2 16  2  0  0  0  0
 23  3  1  1  0  0  0
 28  3  1  6  0  0  0
 26  4  1  1  0  0  0
  4 36  1  0  0  0  0
 24  5  1  6  0  0  0
  5 54  1  0  0  0  0
 27  6  1  1  0  0  0
  6 55  1  0  0  0  0
  7 28  1  0  0  0  0
  7 30  1  0  0  0  0
  8 35  2  0  0  0  0
  9 74  1  0  0  0  0
 10 75  1  0  0  0  0
 11 76  1  0  0  0  0
 12 77  1  0  0  0  0
 22 17  1  6  0  0  0
 17 33  1  0  0  0  0
 17 35  1  0  0  0  0
 25 18  1  6  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 29 19  1  6  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 34 20  1  1  0  0  0
 20 70  1  0  0  0  0
 20 71  1  0  0  0  0
 21 37  1  0  0  0  0
 21 72  1  0  0  0  0
 21 73  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  1  0  0  0  0
 29 46  1  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 49  1  6  0  0  0
 31 32  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 34 38  1  0  0  0  0
 34 59  1  0  0  0  0
 35 37  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
M  END

$$$$
D09MWJ
  -OEChem-10121501102D

 55 57  0     1  0  0  0  0  0999 V2000
    3.4782    2.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0410   -0.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0410    1.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.4462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -1.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.0538    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6691    0.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2708   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2708    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769   -0.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0372   -1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0372    2.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026    1.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.1101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.7546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.9294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    2.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    2.5084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822    0.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5793    0.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453    1.5287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6482    1.5287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5143    0.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3113    0.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3988    2.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.6738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1588    2.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2637   -1.6008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2637    1.7084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9739   -2.2562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0478   -2.2562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4172   -1.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0348   -2.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6571   -1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6571    2.0803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0348    2.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4172    2.0755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 40  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 18  2  0  0  0  0
  7 21  1  0  0  0  0
  8 18  1  0  0  0  0
  8 22  2  0  0  0  0
  9 22  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  2  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END

$$$$
D09MXS
          04020800062D 1   1.00000     0.00000     0

 12 11  0     1  0            999 V2000
    0.6034   -0.3448    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.6000    0.3448    0.0000 C   0  0  1  0  0  0           0  0  0
    1.8034    0.3448    0.0000 C   0  0  1  0  0  0           0  0  0
    0.6034   -1.7310    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8034   -0.3448    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.6000    1.7345    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0069   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8034    1.7345    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.0034    0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8034   -1.7310    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2069    0.3448    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.2069   -0.3448    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  1     0  0
  2  5  1  0     0  0
  2  6  1  1     0  0
  3  7  1  0     0  0
  3  8  1  6     0  0
  5  9  1  0     0  0
  5 10  1  1     0  0
  7 11  1  0     0  0
  9 12  1  0     0  0
M  END

$$$$
D09NFN
          05200900222D 1   1.00000     0.00000     0

 31 26  0     0  0            999 V2000
    2.6167   -0.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9875   -0.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8375   -3.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4542   -3.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3792   -3.1292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2125   -1.7542    0.0000 N   0  0  3  0  0  0           0  0  0
    2.0167   -3.7917    0.0000 N   0  0  3  0  0  0           0  0  0
    1.8375   -1.2042    0.0000 O   0  5  0  0  0  0           0  0  0
    1.2000   -1.1167    0.0000 O   0  5  0  0  0  0           0  0  0
    4.3792   -2.4417    0.0000 O   0  5  0  0  0  0           0  0  0
    0.8500   -3.1042    0.0000 O   0  5  0  0  0  0           0  0  0
    0.4500   -2.6042    0.0000 O   0  5  0  0  0  0           0  0  0
    2.6042   -0.0667    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9792    0.0208    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1375   -3.6167    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2500   -4.1167    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9750   -3.4667    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8750   -1.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2042   -1.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4292   -4.1292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3417   -3.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2042   -3.1292    0.0000 N   0  0  3  0  0  0           0  0  0
    3.7917   -3.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8000   -2.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6042   -4.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7917   -2.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2000   -3.8042    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6458   -2.5667    0.0000 Na  0  3  0  0  0  0           0  0  0
   -0.1125   -1.1000    0.0000 Na  0  3  0  0  0  0           0  0  0
    5.7000   -2.5042    0.0000 Na  0  3  0  0  0  0           0  0  0
    1.7417   -2.5542    0.0000 Ca  0  2  0  0  0  0           0  0  0
  2 18  1  0     0  0
  3 20  1  0     0  0
  4 21  1  0     0  0
  5 23  1  0     0  0
  6 19  1  0     0  0
  7 25  1  0     0  0
  8  1  1  0     0  0
  9  2  1  0     0  0
 10  5  1  0     0  0
 11  3  1  0     0  0
 12  4  1  0     0  0
 13  1  2  0     0  0
 14  2  2  0     0  0
 15  4  2  0     0  0
 16  3  2  0     0  0
 17  5  2  0     0  0
 18  6  1  0     0  0
 19  1  1  0     0  0
 20  7  1  0     0  0
 21  7  1  0     0  0
 22 26  1  0     0  0
 23 22  1  0     0  0
 24  6  1  0     0  0
 25 27  1  0     0  0
 26 24  1  0     0  0
 27 22  1  0     0  0
M  CHG  8   8  -1   9  -1  10  -1  11  -1  12  -1  28   1  29   1  30   1
M  CHG  1  31   2
M  END

$$$$
D09NIA
  -OEChem-10121501122D

 33 35  0     1  0  0  0  0  0999 V2000
    7.9184    2.4528    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1240    0.4634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    1.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5323    1.3762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -0.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 22 31  1  0  0  0  0
M  END

$$$$
D09NIB
  -OEChem-10101305022D

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 42 74  1  0  0  0  0
M  END

$$$$
D09NLC
  -OEChem-04152110512D

 46 46  0     1  0  0  0  0  0999 V2000
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 20 27  2  0  0  0  0
 20 31  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  2  0  0  0  0
 22 30  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 29  1  0  0  0  0
 28 39  1  0  0  0  0
 29 30  2  0  0  0  0
 31 40  1  0  0  0  0
 32 43  1  0  0  0  0
 32 44  1  0  0  0  0
 32 45  1  0  0  0  0
M  CHG  4   4   1   5   1  13  -1  16  -1
M  END

$$$$
D09NMD
  -OEChem-10121501402D

 62 66  0     1  0  0  0  0  0999 V2000
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    5.4641    4.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3860    4.6665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8626    5.0588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    5.0588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6807   -4.4106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2359   -5.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6113   -2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7997   -2.4724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0872   -5.2082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8452   -4.8707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2804   -4.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2169    5.2385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    3.7039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  1 28  1  0  0  0  0
  2 24  1  0  0  0  0
  2 62  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  1  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  1  0  0  0
  5 33  1  0  0  0  0
  6  8  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 10 19  1  0  0  0  0
 11 21  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  2  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 24  2  0  0  0  0
 17 47  1  0  0  0  0
 18 26  1  0  0  0  0
 18 48  1  0  0  0  0
 19 27  2  0  0  0  0
 19 49  1  0  0  0  0
 20 25  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 29  1  0  0  0  0
 21 52  1  0  0  0  0
 22 30  2  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 28  2  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 29 31  2  0  0  0  0
 29 59  1  0  0  0  0
 30 31  1  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END

$$$$
D09NNA
  -OEChem-04152109012D

 54 57  0     1  0  0  0  0  0999 V2000
    8.6500    2.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -0.1425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -0.6425    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931   -0.1425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.3931    0.8575    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7430   -1.6909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610    0.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  1  1  1  0  0  0
  1 51  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  6  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  1  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  6  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  1  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  1  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 26  1  6  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 21  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  6  0  0  0
 20 50  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END

$$$$
D09NNH
  -OEChem-04152108392D

 86 93  0     1  0  0  0  0  0999 V2000
    2.9606    1.8572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    2.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4763    1.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3456   -1.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8777   -1.1721    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2058    0.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8657   -5.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0362    0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7277   -2.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9956   -3.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9335    3.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2096   -0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8616   -4.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7277   -3.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3489   -0.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8777   -5.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0856   -4.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5182    4.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3456   -4.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9797   -5.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1079    5.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5131    4.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6926    5.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0978    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875    5.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7945    3.5943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    4.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752    3.3792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    2.9131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628   -3.1443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6010   -1.7943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    5.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8686    5.5859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8423    1.0388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806   -0.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5824   -0.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7415    0.6435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3382   -2.8213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9397   -2.1310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7649    2.7812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4918    3.1082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    2.3657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838    1.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503    0.7806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307    0.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600   -0.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5428   -1.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9378   -0.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0532   -1.2226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2899   -0.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4457   -0.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5523   -3.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9634   -4.4402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1517   -5.9124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821   -6.4029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5395   -5.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4911    5.1635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7675    3.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4382    6.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7146    4.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    6.3147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 12  2  1  6  0  0  0
  2 67  1  0  0  0  0
  3 19  2  0  0  0  0
  4 23  2  0  0  0  0
  5 29  2  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
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  7 11  1  0  0  0  0
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  7 23  1  0  0  0  0
  8 17  1  0  0  0  0
  8 25  1  0  0  0  0
  8 34  1  0  0  0  0
 13  9  1  6  0  0  0
  9 29  1  0  0  0  0
  9 62  1  0  0  0  0
 10 35  1  0  0  0  0
 10 38  1  0  0  0  0
 10 79  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 46  1  1  0  0  0
 13 19  1  0  0  0  0
 13 24  1  0  0  0  0
 14 20  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 23  1  0  0  0  0
 15 28  1  6  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 16 27  1  0  0  0  0
 16 50  1  6  0  0  0
 17 26  1  0  0  0  0
 17 51  1  1  0  0  0
 18 20  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 29  1  1  0  0  0
 21 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 24 32  1  0  0  0  0
 24 33  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 31  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 30  2  0  0  0  0
 27 36  1  0  0  0  0
 28 37  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 31 38  2  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 33 73  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 35 39  2  0  0  0  0
 36 40  2  0  0  0  0
 36 77  1  0  0  0  0
 37 41  2  0  0  0  0
 37 42  1  0  0  0  0
 38 78  1  0  0  0  0
 39 40  1  0  0  0  0
 39 80  1  0  0  0  0
 40 81  1  0  0  0  0
 41 43  1  0  0  0  0
 41 82  1  0  0  0  0
 42 44  2  0  0  0  0
 42 83  1  0  0  0  0
 43 45  2  0  0  0  0
 43 84  1  0  0  0  0
 44 45  1  0  0  0  0
 44 85  1  0  0  0  0
 45 86  1  0  0  0  0
M  END

$$$$
D09NYS
  -OEChem-10101305032D

 39 40  0     0  0  0  0  0  0999 V2000
    4.6815    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.9362    5.2019    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4663    5.2261    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4061    5.2261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    3.2019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8022    4.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    4.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8022    3.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    3.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6022    4.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    4.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    5.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    5.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    3.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    3.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6022    3.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    3.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3343    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625    6.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099    6.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6890    5.8566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    5.8566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6890    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1380    3.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7344    3.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0263    4.1913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8724    4.4215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    5.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0825    6.2285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4601    6.8461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8425    6.2237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0299    6.2237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123    6.8461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7899    6.2285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302    5.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8461    4.1913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3 10  2  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

$$$$
D09NYU
  -OEChem-04152108362D

 30 29  0     1  0  0  0  0  0999 V2000
    6.7904    1.2232    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    6.4814    2.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8936    2.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1153   -0.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9814    0.6354    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.5827    2.5778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7134   -2.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724    1.2232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2213    0.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    2.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9814   -0.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474   -0.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474   -1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    2.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0754    0.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327    0.5325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124    0.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4580   -0.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0594   -0.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8458    2.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1196    2.8878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2368   -1.7569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -2.4472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    0.8090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    3.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7134   -2.9846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2503   -2.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  2  0  0  0  0
  4 13  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 24  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 15  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  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
 17 28  1  0  0  0  0
M  CHG  1   5  -1
M  END

$$$$
D09OBB
  -OEChem-10121501032D

 45 48  0     1  0  0  0  0  0999 V2000
    2.8680   -0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8422    1.0410    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981   -0.4499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2641    0.0501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2641    1.0501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1950   -0.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D09OJQ
  -OEChem-04152108442D

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 23 50  1  0  0  0  0
M  END

$$$$
D09OLZ
  -OEChem-10111523232D

194199  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D09OOV
  -OEChem-04152110352D

190190  0     1  0  0  0  0  0999 V2000
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 89181  1  0  0  0  0
 90186  1  0  0  0  0
M  END

$$$$
D09OQV
  -OEChem-10101305032D

 47 49  0     1  0  0  0  0  0999 V2000
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 22 47  1  0  0  0  0
M  END

$$$$
D09OZC
  -OEChem-10101305022D

 48 50  0     0  0  0  0  0  0999 V2000
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 18 36  1  0  0  0  0
 18 40  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END

$$$$
D09PEQ
  -OEChem-10101305032D

226231  0     1  0  0  0  0  0999 V2000
   18.1052    5.9567    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2882   10.4427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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101222  1  0  0  0  0
M  END

$$$$
D09PJX
  -OEChem-10121500302D

 50 52  0     1  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 13 35  1  0  0  0  0
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 15 36  1  0  0  0  0
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 16 37  1  0  0  0  0
 17 21  1  0  0  0  0
 17 38  1  0  0  0  0
 18 42  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END

$$$$
D09PLI
          01210517092D 1   1.00000     0.00000     0

  9  7  0     0  0            999 V2000
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    5.4917   -3.0042    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  5  1  0     0  0
  3  1  2  0     0  0
  4  2  2  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
M  END

$$$$
D09PNY
  -OEChem-10121501262D

 41 42  0     1  0  0  0  0  0999 V2000
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    3.4030    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0230    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7830    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 10  1  0  0  0  0
  2 39  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4 20  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D09PPG
          08111101032D 1   1.00000     0.00000     0

 28 26  0     1  0            999 V2000
    8.8632   -6.3232    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4833   -5.9682    0.0000 N   0  0  0  0  0  0           0  0  0
   10.0903   -6.3232    0.0000 C   0  0  0  0  0  0           0  0  0
   10.7055   -5.9682    0.0000 N   0  0  3  0  0  0           0  0  0
   11.3209   -6.3232    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2520   -5.9684    0.0000 N   0  0  0  0  0  0           0  0  0
   10.7055   -5.2584    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0906   -7.0329    0.0000 N   0  0  0  0  0  0           0  0  0
    8.8661   -7.0329    0.0000 N   0  0  0  0  0  0           0  0  0
    4.9857   -5.6282    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5956   -5.9852    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2202   -5.6376    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8343   -5.9946    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2244   -4.9251    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3674   -5.9795    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7466   -5.6275    0.0000 N   0  0  0  0  0  0           0  0  0
    4.3632   -6.6920    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6667   -8.1209    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2843   -7.7667    0.0000 C   0  0  2  0  0  0           0  0  0
    1.9019   -8.1209    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5153   -7.7667    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9019   -8.8334    0.0000 O   0  0  0  0  0  0           0  0  0
    1.2843   -7.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9019   -6.6959    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9019   -5.9834    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5153   -5.6292    0.0000 N   0  0  0  0  0  0           0  0  0
    3.1329   -5.9834    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1329   -6.6959    0.0000 N   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  6  1  0     0  0
  1  9  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  8  2  0     0  0
  4  5  1  0     0  0
  4  7  1  0     0  0
 10 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 10 11  1  0     0  0
 20 22  2  0     0  0
 19 23  1  1     0  0
 11 12  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 12 13  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 16  1  0     0  0
 12 14  2  0     0  0
 27 28  2  0     0  0
M  END

$$$$
D09PQZ
  -OEChem-03101900402D

 58 62  0     1  0  0  0  0  0999 V2000
    2.9940    2.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3460   -4.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4955    3.8137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    1.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    1.2484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.7485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590   -0.7515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9924   -3.5646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2816   -4.7213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0819    3.0037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0335    3.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0352    4.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0847    4.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    2.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    3.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    2.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0819   -0.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    1.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    4.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4140   -1.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3710   -1.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7247   -2.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7032   -2.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4985    5.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030   -4.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6352   -5.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459   -6.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5922   -5.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -6.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2421    2.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1613    2.7044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6502    3.3748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6517    4.2452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1652    4.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378    5.1877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483    4.9327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    2.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560    2.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4744   -0.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074   -1.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -1.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959   -1.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9777   -1.7914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3106   -2.6631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    6.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6909    6.9536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    6.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4064   -3.1031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0285   -5.1315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5318   -6.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1989   -5.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1170   -7.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 29  2  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  5 14  2  0  0  0  0
  5 17  1  0  0  0  0
  6 19  2  0  0  0  0
  6 21  1  0  0  0  0
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  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8 29  1  0  0  0  0
  8 31  1  0  0  0  0
  8 54  1  0  0  0  0
  9 31  1  0  0  0  0
  9 34  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  6  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
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 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 43  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 44  1  0  0  0  0
 22 28  3  0  0  0  0
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 55  1  0  0  0  0
 33 35  2  0  0  0  0
 33 56  1  0  0  0  0
 34 35  1  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
M  END

$$$$
D09PUL
  -OEChem-10121501172D

 13 12  0     1  0  0  0  0  0999 V2000
    5.1350   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  2  0  0  0  0
  4  3  1  6  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END

$$$$
D09PZO
  -OEChem-04152109552D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0000    2.3725    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -2.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -0.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -2.7188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D09PZZ
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 56116  1  0  0  0  0
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 60118  1  0  0  0  0
 60119  1  0  0  0  0
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 64127  1  0  0  0  0
 65 69  2  0  0  0  0
 65128  1  0  0  0  0
 66 71  1  0  0  0  0
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 69134  1  0  0  0  0
 70135  1  0  0  0  0
 71 73  2  0  0  0  0
 71136  1  0  0  0  0
 72 73  1  0  0  0  0
 72137  1  0  0  0  0
M  END

$$$$
D09QBG
  -OEChem-10111523352D

 69 71  0     1  0  0  0  0  0999 V2000
    9.6690    6.3604    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.3660   -3.1300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0786   -1.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3291    3.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4826    4.2776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4110    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -7.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8236   -0.4208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1765    0.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6455   -1.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2120   -2.7640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 39  1  0  0  0  0
  2 39  1  0  0  0  0
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 10 43  1  0  0  0  0
 11 30  1  0  0  0  0
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 28 12  1  1  0  0  0
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 29 13  1  1  0  0  0
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 16 57  1  0  0  0  0
 18 64  1  0  0  0  0
 20 65  1  0  0  0  0
 21 66  1  0  0  0  0
 30 23  1  6  0  0  0
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 25 33  2  0  0  0  0
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 27 54  1  0  0  0  0
 28 29  1  0  0  0  0
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 28 45  1  0  0  0  0
 29 31  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 32  1  6  0  0  0
 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 33 35  1  0  0  0  0
 34 53  1  0  0  0  0
 35 36  2  0  0  0  0
 38 40  1  0  0  0  0
 38 55  1  0  0  0  0
 38 56  1  0  0  0  0
 40 58  1  0  0  0  0
 40 59  1  0  0  0  0
 41 42  1  0  0  0  0
 41 60  1  0  0  0  0
 41 61  1  0  0  0  0
 42 43  1  0  0  0  0
 42 62  1  0  0  0  0
 42 63  1  0  0  0  0
 44 67  1  0  0  0  0
 44 68  1  0  0  0  0
 44 69  1  0  0  0  0
M  END

$$$$
D09QDP
  -OEChem-10191522542D

 32 32  0     1  0  0  0  0  0999 V2000
    2.0000   -2.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.9400    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 29  1  0  0  0  0
 13 17  3  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D09QEI
  -OEChem-10121501092D

 38 39  0     0  0  0  0  0  0999 V2000
    8.0622    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 22  1  0  0  0  0
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M  END

$$$$
D09QUQ
  -OEChem-10121501182D

 49 50  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D09QVV
  -OEChem-10121500572D

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 59 60  2  0  0  0  0
 59115  1  0  0  0  0
 60116  1  0  0  0  0
M  END

$$$$
D09QZI
  -OEChem-10121501092D

 58 61  0     1  0  0  0  0  0999 V2000
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 25 27  1  0  0  0  0
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 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
M  END

$$$$
D09RHQ
  -OEChem-10121501422D

 46 47  0     1  0  0  0  0  0999 V2000
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END

$$$$
D09RII
  -OEChem-03141904512D

 44 46  0     0  0  0  0  0  0999 V2000
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 10 32  1  0  0  0  0
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 17 38  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
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 25 43  1  0  0  0  0
M  END

$$$$
D09RUW
          01280517582D 1   1.00000     0.00000     0

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  2  4  2  0     0  0
  3  5  1  0     0  0
  4  1  1  0     0  0
  5  1  2  0     0  0
  6  3  2  0     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
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 10  7  1  0     0  0
 11  9  1  0     0  0
 12  8  1  0     0  0
 13  9  2  0     0  0
 14  8  2  0     0  0
 15 10  2  0     0  0
 16  6  1  0     0  0
 17  5  1  0     0  0
 18  4  1  0     0  0
 19 12  1  0     0  0
 20 11  1  0     0  0
 21 19  1  0     0  0
 22 20  1  0     0  0
 23  7  1  0     0  0
 24 10  1  0     0  0
 25 22  1  0     0  0
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 27 24  1  0     0  0
 28 30  1  0     0  0
 29 31  1  0     0  0
 30 21  1  0     0  0
 31 22  1  0     0  0
  2  6  1  0     0  0
M  END

$$$$
D09SGV
  -OEChem-04152122302D

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 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 15 55  1  6  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 16 56  1  6  0  0  0
 17 19  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 20  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 21  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 22  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 69  1  0  0  0  0
 28 30  1  0  0  0  0
 28 70  1  0  0  0  0
 29 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 71  1  0  0  0  0
 30 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 72  1  0  0  0  0
 31 37  2  0  0  0  0
 31 39  1  0  0  0  0
 32 38  2  0  0  0  0
 32 40  1  0  0  0  0
 33 77  1  0  0  0  0
 33 78  1  0  0  0  0
 33 79  1  0  0  0  0
 34 80  1  0  0  0  0
 34 81  1  0  0  0  0
 34 82  1  0  0  0  0
 35 83  1  0  0  0  0
 35 84  1  0  0  0  0
 35 85  1  0  0  0  0
 36 86  1  0  0  0  0
 36 87  1  0  0  0  0
 36 88  1  0  0  0  0
 37 89  1  0  0  0  0
 38 90  1  0  0  0  0
 39 43  2  0  0  0  0
 39 45  1  0  0  0  0
 40 44  2  0  0  0  0
 40 46  1  0  0  0  0
 43 49  1  0  0  0  0
 43 91  1  0  0  0  0
 44 50  1  0  0  0  0
 44 92  1  0  0  0  0
 45 51  2  0  0  0  0
 45 93  1  0  0  0  0
 46 52  2  0  0  0  0
 46 94  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 47 51  1  0  0  0  0
 48 50  2  0  0  0  0
 48 52  1  0  0  0  0
 49 95  1  0  0  0  0
 50 96  1  0  0  0  0
 51 97  1  0  0  0  0
 52 98  1  0  0  0  0
 53 99  1  0  0  0  0
 53100  1  0  0  0  0
 53101  1  0  0  0  0
 54102  1  0  0  0  0
 54103  1  0  0  0  0
 54104  1  0  0  0  0
M  END

$$$$
D09SIK
  CDK    9/16/09,9:55

 26 27  0  0  0  0  0  0  0  0999 V2000
   15.3845   -8.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6903   -7.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7322   -7.0131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9560   -8.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9178   -9.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2590   -9.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2700  -10.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4914  -10.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9940   -9.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4704   -9.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1696   -9.9782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7666  -10.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1932  -11.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9423  -10.7129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5197  -10.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6942  -10.0193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215   -9.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7458   -9.2736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2488  -11.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8078  -12.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5652  -12.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6133  -11.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9456  -10.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6741  -10.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7034   -9.6229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3758  -10.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  2  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  6  5  1  6  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  6 10  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 11 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 20 22  1  0  0  0  0 
  7 23  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 24 26  1  0  0  0  0 
M  END

$$$$
D09SOA
  SciTegic03291108482D

 18 19  0  0  0  0            999 V2000
   -3.1938   -0.9984    0.0000 Cl  0  0
   -1.0504    2.7141    0.0000 O   0  0
    0.3785    2.7141    0.0000 O   0  0
   -1.7649    1.4766    0.0000 N   0  0
   -1.0504    0.2391    0.0000 N   0  0
   -1.0504    1.0641    0.0000 C   0  0
   -0.3359    1.4766    0.0000 C   0  0
   -2.4794    1.0641    0.0000 C   0  0
   -2.4794    0.2391    0.0000 C   0  0
   -3.1938   -0.1734    0.0000 C   0  0
   -0.3359    2.3016    0.0000 C   0  0
    0.3785    1.0641    0.0000 C   0  0
   -3.1938    1.4766    0.0000 C   0  0
   -3.9083    0.2391    0.0000 C   0  0
   -0.3359   -0.1734    0.0000 C   0  0
   -3.9083    1.0641    0.0000 C   0  0
    0.3785    0.2391    0.0000 C   0  0
   -1.7649   -0.1734    0.0000 C   0  0
  1 10  1  0
  2 11  2  0
  3 11  1  0
  4  6  1  0
  4  8  1  0
  5  6  1  0
  5 15  2  0
  6  7  2  0
  7 11  1  0
  7 12  1  0
  8  9  2  0
  8 13  1  0
  9 10  1  0
  9 18  1  0
 10 14  2  0
 12 17  2  0
 13 16  2  0
 14 16  1  0
 15 17  1  0
M  END

$$$$
D09SRR
  SciTegic01161211252D

 27 27  0  0  0  0            999 V2000
   -1.4333   -2.4000    0.0000 C   0  0  2  0  0  0
   -2.5208   -2.0500    0.0000 C   0  0
   -1.4292   -1.7000    0.0000 C   0  0  2  0  0  0
   -2.1042   -2.6208    0.0000 C   0  0  1  0  0  0
   -2.1042   -1.4750    0.0000 C   0  0  1  0  0  0
   -0.8208   -2.7583    0.0000 C   0  0
    2.9583   -1.6750    0.0000 C   0  0
    2.9583   -2.3875    0.0000 O   0  0
    3.5667   -1.3208    0.0000 O   0  0
    0.4042   -3.4625    0.0000 O   0  0
   -0.2042   -1.6958    0.0000 C   0  0
    0.5042   -1.6958    0.0000 C   0  0
    0.4042   -2.7500    0.0000 C   0  0
   -0.2083   -2.4000    0.0000 C   0  0
   -2.3292   -3.2958    0.0000 O   0  0
   -2.3208   -0.8000    0.0000 O   0  0
   -0.8167   -1.3375    0.0000 C   0  0
    2.3417   -1.3250    0.0000 C   0  0
    1.1167   -1.3375    0.0000 C   0  0
    1.0167   -2.4000    0.0000 C   0  0
    1.7292   -1.6875    0.0000 C   0  0
    1.6208   -2.7500    0.0000 C   0  0
    3.4417   -3.8500    0.0000 C   0  0
    2.8333   -3.4833    0.0000 C   0  0
    1.6167   -3.4583    0.0000 C   0  0
    2.2167   -3.8208    0.0000 C   0  0
    4.0583   -3.5125    0.0000 C   0  0
  2  4  1  0
  3  1  1  0
  4  1  1  0
  5  3  1  0
  1  6  1  1
  7 18  1  0
  8  7  2  0
  9  7  1  0
 10 13  2  0
 11 17  1  0
 12 11  2  0
 13 14  1  0
 14  6  1  0
  4 15  1  6
  5 16  1  6
  3 17  1  6
 18 21  1  0
 19 12  1  0
 20 13  1  0
 21 19  1  0
 22 20  1  0
 23 24  1  0
 24 26  1  0
 25 22  1  0
 26 25  1  0
 27 23  1  0
  5  2  1  0
M  END

$$$$
D09SSC
          08160500292D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
    0.0208   -3.5083    0.0000 N   0  3  0  0  0  0           0  0  0
    0.0292   -1.3833    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5833   -1.0333    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1917   -1.3833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5917   -3.1500    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5875   -2.4417    0.0000 C   0  0  3  0  0  0           0  0  0
    0.0167   -4.2167    0.0000 O   0  5  0  0  0  0           0  0  0
    0.6375   -3.1542    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1958   -2.0833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5833   -0.3208    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0292    0.0375    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0250   -2.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4833    0.0458    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2542    0.0417    0.0000 C   0  0  3  0  0  0           0  0  0
    0.6417   -0.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8708   -0.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2542    0.7500    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8083   -1.0333    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8083   -0.3250    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0958   -0.3083    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.2000    0.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7083    0.0500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1000   -1.0167    0.0000 C   0  0  0  0  0  0           0  0  0
  2 12  1  0     0  0
  3  2  1  0     0  0
  4  9  1  0     0  0
  5  1  1  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  1  2  0     0  0
  9  6  1  0     0  0
 10  3  1  0     0  0
 11 10  1  0     0  0
 12  6  1  0     0  0
 13 16  1  0     0  0
 14 15  1  0     0  0
 15 11  1  0     0  0
 16 14  1  0     0  0
 17 14  1  0     0  0
 18  4  1  0     0  0
 19 18  2  0     0  0
 20 13  1  0     0  0
 21 10  2  0     0  0
 22 20  1  0     0  0
 23 20  1  0     0  0
  4  3  2  0     0  0
 21 19  1  0     0  0
M  CHG  2   1   1   7  -1
M  END

$$$$
D09TAB
  -OEChem-04152111182D

 44 47  0     0  0  0  0  0  0999 V2000
    2.0000   -0.9700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9722    2.5918    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7874    3.3640    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1999    1.4070    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.7747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7690    0.6101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798   -0.5466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7045    1.2288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0796    1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    1.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3688    2.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260    1.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3473    2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0152    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9937    2.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    0.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.1274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -3.3640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    1.4035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -1.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0591    2.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4658    1.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152    1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1830    0.1487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9547    3.1789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5334    0.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5399    3.5129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 33  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 40  1  0  0  0  0
  7 14  1  0  0  0  0
  7 24  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  2  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 32  1  0  0  0  0
 16 23  2  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
M  END

$$$$
D09TBD
  -OEChem-10101305032D

 31 32  0     0  0  0  0  0  0999 V2000
    3.0000    0.3470    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    1.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    2.1834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    3.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274    3.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3554    3.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    3.9714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126    3.0499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9218    3.7108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6076    4.5294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    4.2152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  2  0  0  0  0
  7 17  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D09TPF
  -OEChem-10111523392D

 44 46  0     1  0  0  0  0  0999 V2000
    2.0000   -0.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    1.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.0894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4325    2.0719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8392    1.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -0.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3460   -0.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    0.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5594    1.0518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0382    1.7864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3037    2.2652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END

$$$$
D09UXE
  -OEChem-10101305032D

 21 20  0     0  0  0  0  0  0999 V2000
    3.4030   -0.0465    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.5214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.5214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.9285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.9285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.9285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.9285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 20  1  0  0  0  0
M  END

$$$$
D09UZO
  -OEChem-10121501192D

 14 15  0     0  0  0  0  0  0999 V2000
    2.8660    1.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.6147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D09VAZ
  -OEChem-04152109202D

 28 27  0     0  0  0  0  0  0999 V2000
    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END

$$$$
D09VBC
  -OEChem-04152108512D

 55 56  0     0  0  0  0  0  0999 V2000
    7.1487   -0.5061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886   -2.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834    0.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    2.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4358   -1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358   -1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
M  END

$$$$
D09VGC
  -OEChem-04152109512D

 40 41  0     1  0  0  0  0  0999 V2000
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 18 40  1  0  0  0  0
M  END

$$$$
D09VOK
  -OEChem-04152122252D

 32 29  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D09VXM
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D09WCM
  -OEChem-04152109002D

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M  END

$$$$
D09WEJ
  -OEChem-04152109102D

 42 42  0     0  0  0  0  0  0999 V2000
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 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D09WKB
  -OEChem-10121501032D

 31 33  0     0  0  0  0  0  0999 V2000
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 19 31  1  0  0  0  0
M  END

$$$$
D09WYX
  -OEChem-04152108452D

 63 67  0     1  0  0  0  0  0999 V2000
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 32 63  1  0  0  0  0
M  END

$$$$
D09XKW
  -OEChem-04152122292D

170169  0     1  0  0  0  0  0999 V2000
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 43 55  1  0  0  0  0
 43130  1  0  0  0  0
 43131  1  0  0  0  0
 44 56  1  0  0  0  0
 44132  1  0  0  0  0
 44133  1  0  0  0  0
 45 57  1  0  0  0  0
 45134  1  0  0  0  0
 45135  1  0  0  0  0
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 46136  1  0  0  0  0
 46137  1  0  0  0  0
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 47138  1  0  0  0  0
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 49 64  1  0  0  0  0
 49141  1  0  0  0  0
 49142  1  0  0  0  0
 50 59  1  0  0  0  0
 50143  1  0  0  0  0
 50144  1  0  0  0  0
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 51145  1  0  0  0  0
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 55149  1  0  0  0  0
 56 65  1  0  0  0  0
 56150  1  0  0  0  0
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 58 60  1  0  0  0  0
 58 61  1  0  0  0  0
 58154  1  0  0  0  0
 60158  1  0  0  0  0
 60159  1  0  0  0  0
 61160  1  0  0  0  0
 61161  1  0  0  0  0
 62162  1  0  0  0  0
 62163  1  0  0  0  0
 62164  1  0  0  0  0
 63165  1  0  0  0  0
 63166  1  0  0  0  0
 63167  1  0  0  0  0
 64168  1  0  0  0  0
 64169  1  0  0  0  0
 64170  1  0  0  0  0
M  END

$$$$
D09XQF
  -OEChem-10101305022D

 17 17  0     0  0  0  0  0  0999 V2000
    2.0000    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D09XWD
  -OEChem-10101305032D

 62 61  0     0  0  0  0  0  0999 V2000
    2.8660    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8564   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5885   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8783    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6383    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8564   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  2  0  0  0  0
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 13 40  1  0  0  0  0
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 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 21  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  2  0  0  0  0
 19 53  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
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 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
M  END

$$$$
D09XZB
  -OEChem-10121500312D

 55 58  0     0  0  0  0  0  0999 V2000
   12.3739   -3.5272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.1174   -2.5473    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5942    1.0064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D09YHJ
  -OEChem-04152109272D

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M  END

$$$$
D09YVX
  MDL     03120710472D 1   1.00000     0.00000     0

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M  END

$$$$
D09ZHZ
  -OEChem-04152110482D

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 91180  1  0  0  0  0
 92181  1  0  0  0  0
 92182  1  0  0  0  0
 92183  1  0  0  0  0
M  CHG  4   1   3  12  -1  17  -1  60  -1
M  END

$$$$
D09ZIO
  -OEChem-10121500532D

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 22105  1  0  0  0  0
 22106  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 66  1  0  0  0  0
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 31 33  1  0  0  0  0
 31 35  2  0  0  0  0
 32 38  1  0  0  0  0
 32 39  1  6  0  0  0
 32 70  1  0  0  0  0
 33 37  1  0  0  0  0
 33 40  2  0  0  0  0
 34 36  1  0  0  0  0
 35 71  1  0  0  0  0
 36 41  1  1  0  0  0
 36 72  1  0  0  0  0
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 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
 40 43  1  0  0  0  0
 40 76  1  0  0  0  0
 41 48  1  0  0  0  0
 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
 42 44  1  0  0  0  0
 42 79  1  0  0  0  0
 43 44  2  0  0  0  0
 43 81  1  0  0  0  0
 44 82  1  0  0  0  0
 45 47  1  1  0  0  0
 45 51  1  0  0  0  0
 45 83  1  0  0  0  0
 46 50  1  0  0  0  0
 47 49  1  0  0  0  0
 47 86  1  0  0  0  0
 47 87  1  0  0  0  0
 49 52  1  0  0  0  0
 49 88  1  0  0  0  0
 49 89  1  0  0  0  0
 50 90  1  0  0  0  0
 50 91  1  0  0  0  0
 52 56  1  0  0  0  0
 52 92  1  0  0  0  0
 52 93  1  0  0  0  0
 53 54  1  0  0  0  0
 53 96  1  0  0  0  0
 53 97  1  0  0  0  0
 54 55  1  0  0  0  0
 54 98  1  0  0  0  0
 54 99  1  0  0  0  0
 56100  1  0  0  0  0
 56101  1  0  0  0  0
M  END

$$$$
D09ZIS
  -OEChem-10121501052D

 22 23  0     0  0  0  0  0  0999 V2000
    5.9674    0.9915    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7612    1.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1737    0.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -0.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.8726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1386    1.7870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3600    0.7362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  5  8  2  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

$$$$
D09ZOQ
  -OEChem-02031521022D

 67 70  0     0  0  0  0  0  0999 V2000
   10.4669    5.1262    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.9418    3.6802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0769    7.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2228    6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 12  1  0  0  0  0
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 18 21  1  0  0  0  0
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 19 53  1  0  0  0  0
 20 23  2  0  0  0  0
 20 54  1  0  0  0  0
 21 27  2  0  0  0  0
 21 55  1  0  0  0  0
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 22 56  1  0  0  0  0
 23 27  1  0  0  0  0
 23 57  1  0  0  0  0
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 24 58  1  0  0  0  0
 25 28  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 63  1  0  0  0  0
 30 32  2  0  0  0  0
 30 64  1  0  0  0  0
 31 33  2  0  0  0  0
 31 65  1  0  0  0  0
 32 33  1  0  0  0  0
 32 66  1  0  0  0  0
 33 67  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D09ZQN
  -OEChem-10121501142D

 38 39  0     0  0  0  0  0  0999 V2000
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 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D09ZXR
  -OEChem-10121501442D

 77 80  0     1  0  0  0  0  0999 V2000
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 42 76  1  0  0  0  0
M  END

$$$$
D0A0FL
  -OEChem-10111523462D

 49 50  0     1  0  0  0  0  0999 V2000
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 21 49  1  0  0  0  0
M  END

$$$$
D0A0JH
  -OEChem-10101305032D

 51 54  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0A0OO
  -OEChem-10101305032D

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M  END

$$$$
D0A0SP
  -OEChem-04152110382D

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    7.0181   -1.4541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   -2.0614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4817    0.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.7655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.5353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    2.5677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    3.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3861   -1.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0928    0.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0450   -0.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  2 22  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  7 10  2  0  0  0  0
  7 20  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 30  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 27  1  0  0  0  0
 23 47  1  0  0  0  0
 24 28  2  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 29  2  0  0  0  0
 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  CHG  1   2   1
M  END

$$$$
D0A1CB
  -OEChem-10101305032D

 56 59  0     1  0  0  0  0  0999 V2000
    5.6808   -0.3240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2581    0.1469    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2607    1.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    3.1760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8147    3.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4880    0.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056   -2.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    1.1760    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5468    1.1760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2607   -0.5367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6720   -1.9538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6751   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4478   -1.1799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9487    1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    0.1760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5551    0.1719    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6808    1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5551    1.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2272   -0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9328   -0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   -0.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2596    0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5149   -0.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4448   -3.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -0.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843    0.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    1.5847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845    0.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472    2.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5502    2.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    0.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.6161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -0.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151   -0.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4812    2.2831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    2.7606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683    2.0253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7651   -0.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1281    0.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.2837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6027   -0.4066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0990   -1.1352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9230    0.7219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462   -3.0143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2831   -3.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0433   -3.3377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9304   -0.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5435   -1.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 24  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 25  2  0  0  0  0
  4 26  1  0  0  0  0
  5 26  2  0  0  0  0
  6 27  2  0  0  0  0
  7 11  1  0  0  0  0
  7 32  1  0  0  0  0
  8 14  1  0  0  0  0
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  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  9 21  1  0  0  0  0
  9 23  1  0  0  0  0
  9 25  1  0  0  0  0
 22 10  1  1  0  0  0
 10 27  1  0  0  0  0
 10 50  1  0  0  0  0
 11 28  2  0  0  0  0
 12 29  1  0  0  0  0
 12 31  2  0  0  0  0
 13 31  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  6  0  0  0
 22 25  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D0A1DH
  -OEChem-10111523442D

 46 47  0     1  0  0  0  0  0999 V2000
    3.7320   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2646   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842   -0.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 24  1  0  0  0  0
  2 20  1  0  0  0  0
  2 25  1  0  0  0  0
  3 16  2  0  0  0  0
  4 20  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 28  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
 15 29  1  0  0  0  0
 17 22  2  0  0  0  0
 17 30  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
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D0A1PX
  -OEChem-10121500202D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0000    0.9050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1760   -3.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D0A1XS
          05261100062D 1   1.00000     0.00000     0

 50 49  0     1  0            999 V2000
    6.3917   -3.8042    0.0000 P   0  0  3  0  0  0           0  0  0
    6.8292   -4.3500    0.0000 O   0  5  0  0  0  0           0  0  0
    5.7750   -3.4625    0.0000 O   0  0  0  0  0  0           0  0  0
    3.3167   -3.4625    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0417   -4.3792    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7667   -2.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8625   -3.8125    0.0000 N   0  3  3  0  0  0           0  0  0
    3.9167   -3.8042    0.0000 O   0  0  0  0  0  0           0  0  0
    7.0125   -3.4667    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1542   -3.8042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3167   -2.7542    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7667   -3.0792    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1667   -2.1375    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5417   -3.4625    0.0000 C   0  0  1  0  0  0           0  0  0
    7.6292   -3.8125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5417   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2417   -3.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4792   -3.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4917   -4.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4167   -4.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7167   -3.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3917   -2.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1042   -3.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0125   -2.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4792   -1.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7250   -4.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1042   -4.7667    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1250   -0.8792    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9875   -3.7792    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3708   -3.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2500   -3.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8667   -3.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4875   -3.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3417   -0.9500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9417   -1.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5792   -1.0125    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1042   -1.4292    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1042   -2.1292    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4792   -2.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8625   -2.1750    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2417   -2.5250    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6292   -2.1625    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7125   -1.2625    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4792   -4.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8667   -4.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2417   -4.4417    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3625   -4.8125    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9875   -4.4750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8792   -0.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3417   -4.7542    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  8  1  0     0  0
  5  1  2  0     0  0
  6 13  1  0     0  0
  7 17  1  0     0  0
  8 14  1  0     0  0
  9  1  1  0     0  0
 10  3  1  0     0  0
 11  4  2  0     0  0
 12  6  2  0     0  0
 13 16  1  0     0  0
 14 10  1  0     0  0
 15  9  1  0     0  0
 14 16  1  6     0  0
 17 15  1  0     0  0
 18  7  1  0     0  0
 19  7  1  0     0  0
 20  7  1  0     0  0
 21  4  1  0     0  0
 22  6  1  0     0  0
 23 21  1  0     0  0
 24 22  1  0     0  0
 25 28  1  0     0  0
 26 27  1  0     0  0
 27 44  1  0     0  0
 28 43  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 23  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 24  1  0     0  0
 43 34  1  0     0  0
 44 45  1  0     0  0
 45 46  1  0     0  0
 46 47  1  0     0  0
 47 48  1  0     0  0
 48 29  1  0     0  0
 49 25  1  0     0  0
 50 26  1  0     0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D0A2AJ
  -OEChem-04152109082D

 36 39  0     1  0  0  0  0  0999 V2000
    5.6161   -1.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7364    0.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7896   -1.3971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6906   -0.9633    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8887   -0.9633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6536   -2.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9131    0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662    0.0117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2896    0.7935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2896    0.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036   -1.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5916   -0.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754   -2.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7399    1.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124   -1.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818    1.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0896    2.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690   -0.7382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6991   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2733   -2.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4717   -0.2573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997    0.4964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0253   -0.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6915    1.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482    1.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    1.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8606   -1.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502   -0.2604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3226    0.0292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -3.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2946   -0.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979   -1.4689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1302   -2.1656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7011    2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950    3.0368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  6  0  0  0
  1  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  1  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  1  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  6  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  1  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D0A2HR
  SciTegic06021414402D

  5  3  0  0  0  0            999 V2000
    8.9792   -5.3417    0.0000 N   0  3
    9.3917   -4.6292    0.0000 O   0  5
    8.1542   -5.3417    0.0000 O   0  5
    9.3917   -6.0625    0.0000 O   0  0
    8.3000   -6.4125    0.0000 Ag  0  3
  2  1  1  0
  3  1  1  0
  4  1  2  0
M  CHG  4   1   1   2  -1   3  -1   5   1
M  ENDM  END

$$$$
D0A2UV
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
    3.7320   -1.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
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  9 15  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 17  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 25  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D0A2ZX
  -OEChem-10101305022D

 21 21  0     0  0  0  0  0  0999 V2000
    2.8940   -1.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    1.5835    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7281   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.6356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.1744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.9143    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -0.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707   -0.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -0.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835   -0.9721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6245    2.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.7228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    0.3247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 21  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$
D0A3HB
  -OEChem-10121500372D

 31 31  0     0  0  0  0  0  0999 V2000
    4.5981    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 31  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  7 13  2  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D0A3ZU
  -OEChem-10121501282D

 31 33  0     1  0  0  0  0  0999 V2000
    6.2619   -2.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.4779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2774    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7619    0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8369    0.4587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    1.1992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.8007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    0.8007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    1.1992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.6803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  6 26  1  0  0  0  0
  7 17  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D0A4IJ
  -OEChem-10101305022D

 39 42  0     1  0  0  0  0  0999 V2000
    8.0524    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.0159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.6254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030   -3.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -4.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.9346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3435    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3452    2.2420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8055    1.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    2.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -3.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953   -2.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8204   -3.5327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280   -4.5852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3779   -4.5852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794    0.8387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4713    0.6353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9602    1.3057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493    2.8545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1855    1.7457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    3.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4261    2.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7515    2.9982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -0.8206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5547    4.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 37  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  2 31  1  0  0  0  0
 11  3  1  1  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 18  1  0  0  0  0
  4 20  2  0  0  0  0
  5 16  1  0  0  0  0
  5 21  2  0  0  0  0
  6 17  2  0  0  0  0
  6 21  1  0  0  0  0
  7 21  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  1  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D0A4JK
  -OEChem-10121501122D

 31 31  0     1  0  0  0  0  0999 V2000
    5.4641    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.0670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6570    0.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    1.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    2.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.5345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8520    1.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    1.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    2.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420    3.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    3.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 15  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D0A4YE
  -OEChem-04152122242D

 36 38  0     0  0  0  0  0  0999 V2000
    3.4668   -0.2505    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668   -0.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668   -0.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    2.2441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668    0.7495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    2.4520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -4.2505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328    1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    2.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2464    0.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -1.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -1.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9155    1.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -2.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -2.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    3.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -3.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    4.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    4.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299    1.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3753    0.2363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638   -1.4405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698   -1.4405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5321    1.5211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638   -3.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698   -3.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    4.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142    1.9977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879    5.1669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    3.0817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472    4.6663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299   -4.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -4.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6 14  2  0  0  0  0
  7 19  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D0A5CM
  SciTegic11301210262D

 20 19  0  0  0  0            999 V2000
   -2.8458    1.7208    0.0000 C   0  0
   -2.6958    0.7833    0.0000 C   0  0
   -2.1208    2.3333    0.0000 C   0  0
   -3.4333    0.1625    0.0000 O   0  0
   -1.8000    0.4458    0.0000 O   0  0
    1.3250   -2.5292    0.0000 N   0  0
   -1.2208    2.0000    0.0000 O   0  0
   -3.7458    2.0583    0.0000 C   0  0
    3.8375   -2.5792    0.0000 O   0  0
   -1.0333   -3.4167    0.0000 O   0  0
    0.1000   -0.3375    0.0000 O   0  0
   -2.2708    3.2708    0.0000 C   0  0
    2.2042   -2.8625    0.0000 C   0  0
    0.5917   -3.1417    0.0000 C   0  0
    1.1542   -1.5917    0.0000 C   0  0
    2.9417   -2.2542    0.0000 C   0  0
   -0.3083   -2.8167    0.0000 C   0  0
    0.2667   -1.2625    0.0000 C   0  0
   -3.9125    2.9833    0.0000 C   0  0
   -3.1708    3.5958    0.0000 C   0  0
  2  1  1  0
  3  1  2  0
  4  2  2  0
  5  2  1  0
  7  3  1  0
  8  1  1  0
  9 16  1  0
 10 17  1  0
 11 18  1  0
 12  3  1  0
 13  6  1  0
 14  6  1  0
 15  6  1  0
 16 13  1  0
 17 14  1  0
 18 15  1  0
 19  8  2  0
 20 19  1  0
 12 20  2  0
M  END

$$$$
D0A5FM
  -OEChem-10191522542D

  2  1  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 N   0  4  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  RAD  1   2   2
M  END

$$$$
D0A5JP
          05260900072D 1   1.00000     0.00000     0

 17 17  0     0  0            999 V2000
    0.1276    0.4552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8448    0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5862    0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1241    1.2828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8414   -0.7724    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.3034    0.4586    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5828   -0.7793    0.0000 I   0  0  0  0  0  0           0  0  0
   -0.5828    1.6931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8448    1.7069    0.0000 I   0  0  0  0  0  0           0  0  0
    1.5586   -1.1931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1241   -1.1897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3000    1.2828    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0241    0.0483    0.0000 N   0  0  0  0  0  0           0  0  0
    1.5621   -2.0138    0.0000 O   0  0  0  0  0  0           0  0  0
    2.2621   -0.7517    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1207   -2.0138    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0207    1.7034    0.0000 I   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  6 13  1  0     0  0
 10 14  1  0     0  0
 10 15  2  0     0  0
 11 16  1  0     0  0
 12 17  1  0     0  0
  8 12  2  0     0  0
M  END

$$$$
D0A5LH
  -OEChem-04152122232D

 81 82  0     1  0  0  0  0  0999 V2000
   10.9107    3.9019    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2457    1.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5506    0.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1979    1.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0185    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9006   12.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685   12.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.3692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9597    2.5929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2457    4.3056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7666   15.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345    8.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9597    3.5929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4985    3.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    2.2839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9514    3.5970    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9514    2.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3075    3.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3075    2.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2197    1.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2793    4.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736    4.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6072    4.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015    5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3464    3.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9351    4.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3799    3.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743    3.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7666   14.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6326   15.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9006   15.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9006   13.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6326   16.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9006   16.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345   12.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345   11.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9006   10.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685   10.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9006    9.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685    9.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345    9.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8284    4.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723    1.8454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3783    3.3603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6720    3.1791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8091    4.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9431    4.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9431    2.0035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8091    2.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6720    3.0067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4074    4.9041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7422    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0822    5.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3128    5.3198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0632    5.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7839    3.0958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    5.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182    2.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0751    3.8276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9786   13.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3772   14.2264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8447   15.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2432   15.7264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2900   15.7264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6885   15.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6885   14.2014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2900   13.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2526   16.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6326   17.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0126   16.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206   16.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9006   17.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2806   16.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   10.9288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6316   10.9288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375    9.3088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6316    9.3088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4976    7.8088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5715    7.8088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    8.6792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 17  2  0  0  0  0
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 40 41  1  0  0  0  0
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M  END

$$$$
D0A5SE
  -OEChem-10121500592D

 38 39  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0A6AP
  -OEChem-04152109142D

 38 41  0     0  0  0  0  0  0999 V2000
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 27 34  1  0  0  0  0
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M  END

$$$$
D0A6CQ
  -OEChem-10121501502D

 51 52  0     1  0  0  0  0  0999 V2000
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 14 20  1  0  0  0  0
 14 37  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  0  0  0  0
 17 22  2  0  0  0  0
 17 42  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END

$$$$
D0A6KR
  -OEChem-04152109252D

 41 42  0     0  0  0  0  0  0999 V2000
   10.3312   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -5.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -3.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5432   -2.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206   -3.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191   -4.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 22  1  0  0  0  0
  2 39  1  0  0  0  0
  3 24  1  0  0  0  0
  3 40  1  0  0  0  0
  4 24  2  0  0  0  0
  5 26  1  0  0  0  0
  5 41  1  0  0  0  0
  6 26  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 24  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 26  1  0  0  0  0
 21 36  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  END

$$$$
D0A7GX
  -OEChem-04152110532D

 24 24  0     1  0  0  0  0  0999 V2000
    4.2690    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  7  2  1  1  0  0  0
  2 20  1  0  0  0  0
  8  3  1  1  0  0  0
  3 21  1  0  0  0  0
 10  4  1  6  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  1  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

$$$$
D0A7MY
  -OEChem-10191523082D

 18 17  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D0A7QN
  -OEChem-04152109262D

 45 45  0     0  0  0  0  0  0999 V2000
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  2  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END

$$$$
D0A7ZK
  -OEChem-04152111252D

 50 53  0     1  0  0  0  0  0999 V2000
    4.5981   -3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3301   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8301    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2 29  1  0  0  0  0
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  3 19  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 20  2  0  0  0  0
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 18 39  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 29  1  0  0  0  0
 26 46  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 28 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D0A8CJ
  -OEChem-10101305032D

 19 18  0     1  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668    0.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2  7  2  0  0  0  0
  3 10  1  0  0  0  0
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  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END

$$$$
D0A8FB
  -OEChem-10121501432D

 56 57  0     0  0  0  0  0  0999 V2000
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    3.7320   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 31  1  0  0  0  0
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 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 22  1  0  0  0  0
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 22 23  2  0  0  0  0
 24 45  1  0  0  0  0
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 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 48  1  0  0  0  0
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 26 50  1  0  0  0  0
 27 51  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

$$$$
D0A8RX
  -OEChem-10101305022D

 87 90  0     1  0  0  0  0  0999 V2000
    6.0010   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 55  1  0  0  0  0
 31 33  1  0  0  0  0
 31 56  1  0  0  0  0
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 39 40  1  0  0  0  0
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 42 68  1  0  0  0  0
 43 70  1  0  0  0  0
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 44 72  1  0  0  0  0
 44 73  1  0  0  0  0
 45 78  1  0  0  0  0
 45 79  1  0  0  0  0
M  END

$$$$
D0A8TA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.628   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.628  -0.822   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.916  -1.233   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.204  -0.822   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.204   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.916   0.411   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.492   0.411   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.780   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.780  -0.822   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.068  -1.233   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.356  -0.822   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.068   0.411   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.356  -1.233   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.068  -0.822   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780  -1.233   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.492  -0.822   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.204  -1.233   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.916  -0.822   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.628  -0.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.492   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.780   0.411   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.780   1.233   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.068   1.644   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.356   1.233   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.356   0.411   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.068   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.492   1.644   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.492   2.466   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.780   2.877   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       1.068   2.466   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.356   1.644   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       1.780  -2.055   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       1.780  -2.877   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   15   11                                                 
CONECT   15   14   16                                                 
CONECT   16   33   15   17                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25   31                                            
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   23   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   24                                                 
CONECT   32   25                                                      
CONECT   33   34   16                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0A8XN
  -OEChem-10121501182D

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 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 12 14  2  0  0  0  0
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 13 16  2  0  0  0  0
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 14 37  1  0  0  0  0
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 18 24  1  0  0  0  0
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 19 42  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END

$$$$
D0A8XY
          01210517062D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
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  2  1  1  0     0  0
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  4  1  1  0     0  0
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  6  4  1  0     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
  9  4  1  0     0  0
 10  8  1  0     0  0
 11  7  2  0     0  0
 12  9  2  0     0  0
 13  9  1  0     0  0
 14 15  1  0     0  0
 15  3  1  0     0  0
 16 14  2  0     0  0
 17  7  1  0     0  0
 18 19  1  0     0  0
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 20 12  1  0     0  0
 21 18  1  0     0  0
 22 17  1  0     0  0
 23  4  1  0     0  0
  3  5  1  0     0  0
 10  5  1  0     0  0
 18 20  2  0     0  0
M  END

$$$$
D0A9KF
  -OEChem-04152110082D

  4  2  0     0  0  0  0  0  0999 V2000
    3.0000   -0.5000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D0A9YA
  -OEChem-10121501372D

 67 71  0     1  0  0  0  0  0999 V2000
   12.2533    0.1910    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3298    1.6031    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8412    0.2674    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 36 67  1  0  0  0  0
M  END

$$$$
D0A9ZX
          10140900062D 1   1.00000     0.00000     0

 48 48  0     1  0            999 V2000
   -0.5491   -2.8333    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5491   -2.1250    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.3584   -2.1250    0.0000 C   0  0  0  0  0  0           0  0  0
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 29  1  1  0     0  0
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 39 47  1  1     0  0
 22 23  1  0     0  0
 24 48  1  1     0  0
M  END

$$$$
D0AA0L
  -OEChem-10121500172D

101106  0     1  0  0  0  0  0999 V2000
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   13.7393    1.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3408    1.8854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 24  2  1  6  0  0  0
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 34 89  1  0  0  0  0
 35 37  1  0  0  0  0
 35 92  1  0  0  0  0
 35 93  1  0  0  0  0
 36 37  1  0  0  0  0
 36 90  1  0  0  0  0
 36 91  1  0  0  0  0
 37 94  1  0  0  0  0
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 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 96  1  0  0  0  0
 40 97  1  0  0  0  0
 40 98  1  0  0  0  0
 41 99  1  0  0  0  0
 41100  1  0  0  0  0
 41101  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END

$$$$
D0AA2D
  -OEChem-10101305022D

 42 45  0     1  0  0  0  0  0999 V2000
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    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3776    2.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    3.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  2  0  0  0  0
  7 27  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 28  1  0  0  0  0
 10 17  2  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END

$$$$
D0AD5C
  -OEChem-10121500572D

 87 90  0     1  0  0  0  0  0999 V2000
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    4.2690   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0AE3X
  -OEChem-10121500342D

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 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D0AF6O
  -OEChem-03101900402D

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  1 27  1  0  0  0  0
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  2 19  1  0  0  0  0
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 25 43  1  0  0  0  0
 27 28  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END

$$$$
D0AJ5L
  -OEChem-10101305032D

 62 66  0     0  0  0  0  0  0999 V2000
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   10.1921    1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 16 24  1  0  0  0  0
 16 48  1  0  0  0  0
 17 23  1  0  0  0  0
 17 49  1  0  0  0  0
 18 25  2  0  0  0  0
 18 50  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 55  1  0  0  0  0
 26 29  1  0  0  0  0
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 27 31  1  0  0  0  0
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 29 58  1  0  0  0  0
 30 32  1  0  0  0  0
 30 60  1  0  0  0  0
 31 32  2  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END

$$$$
D0AL8M
  -OEChem-10101305022D

 49 51  0     0  0  0  0  0  0999 V2000
    4.6701   -3.0262    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    3.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701   -3.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6701   -3.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.5127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4791    1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6701   -2.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8041   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5891   -0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    1.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
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 11 14  2  0  0  0  0
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 13 31  1  0  0  0  0
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 14 33  1  0  0  0  0
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 16 22  1  0  0  0  0
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 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 37  1  0  0  0  0
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 20 40  1  0  0  0  0
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 22 24  2  0  0  0  0
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 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D0AN7B
  -OEChem-10111523422D

 33 34  0     0  0  0  0  0  0999 V2000
    2.8660   -0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9939   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7004    1.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D0AO5H
  -OEChem-10101305032D

 39 40  0     0  0  0  0  0  0999 V2000
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 17 26  1  0  0  0  0
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 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D0AO6B
  -OEChem-04152122252D

 59 62  0     0  0  0  0  0  0999 V2000
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 23 28  1  0  0  0  0
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 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  END

$$$$
D0AO9S
  -OEChem-10121501152D

 12 11  0     1  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END

$$$$
D0AP9E
  -OEChem-03141904502D

 63 68  0     0  0  0  0  0  0999 V2000
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 33 63  1  0  0  0  0
M  END

$$$$
D0AP9T
  -OEChem-10101305032D

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 36 48  1  0  0  0  0
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 36 50  1  0  0  0  0
M  END

$$$$
D0AR3J
  -OEChem-10121500292D

 85 90  0     1  0  0  0  0  0999 V2000
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 41 83  1  0  0  0  0
M  END

$$$$
D0AT8C
  -OEChem-04152122322D

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M  END

$$$$
D0AV3G
  -OEChem-10121502022D

 54 58  0     0  0  0  0  0  0999 V2000
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   10.6547    2.1933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7916    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4539    3.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0562    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0445    3.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6467    4.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6409    4.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690   -2.3089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6608    3.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3965    5.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    5.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 17  2  0  0  0  0
  3 24  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  6 46  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  1  0  0  0  0
  7 24  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  2  0  0  0  0
 20 47  1  0  0  0  0
 21 26  2  0  0  0  0
 21 48  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  2  0  0  0  0
 23 26  1  0  0  0  0
 23 49  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END

$$$$
D0AY7K
  -OEChem-10101305022D

 62 61  0     1  0  0  0  0  0999 V2000
    5.6661    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    9.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0632    4.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    6.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.0369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5369    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    8.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    6.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4651    6.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8469    6.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    8.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3278    5.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 62  1  0  0  0  0
  2 11  1  0  0  0  0
  2 44  1  0  0  0  0
  3 15  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 29  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 15  1  0  0  0  0
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 13 36  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 25  1  0  0  0  0
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 22 26  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 27  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 25 28  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
M  END

$$$$
D0AY9Q
  -OEChem-10101305032D

 38 36  0     0  0  0  0  0  0999 V2000
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   10.4617    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END

$$$$
D0AZ3C
  -OEChem-10121500412D

 68 72  0     0  0  0  0  0  0999 V2000
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 36 37  1  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
M  END

$$$$
D0AZ8C
  -OEChem-04152110162D

 57 61  0     1  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
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 30 34  2  0  0  0  0
 31 34  1  0  0  0  0
 31 49  1  0  0  0  0
 32 33  2  0  0  0  0
 33 50  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
 35 57  1  0  0  0  0
M  END

$$$$
D0B0AX
  -OEChem-10101305032D

 53 55  0     0  0  0  0  0  0999 V2000
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    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2181   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2644   -0.4662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7239   -1.3942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 23  1  0  0  0  0
  2 28  1  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 39  1  0  0  0  0
  5 14  1  0  0  0  0
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  5 40  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  2  0  0  0  0
  7 20  1  0  0  0  0
  7 27  2  0  0  0  0
  8 26  2  0  0  0  0
  8 27  1  0  0  0  0
  9 27  1  0  0  0  0
  9 52  1  0  0  0  0
  9 53  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D0B0CP
  -OEChem-10101305032D

 39 41  0     0  0  0  0  0  0999 V2000
    8.1962   -0.9585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.9827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441   -0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    1.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    0.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741    2.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 26  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 20  2  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 31  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D0B0SH
  -OEChem-04152108442D

 41 41  0     0  0  0  0  0  0999 V2000
    4.3745    1.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.4236    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7764    1.4030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    6.4236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    6.6188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    8.2283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6424    1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9104    0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2764    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5084    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648    7.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0410    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3734    0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2204    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133    2.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9664    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7395    1.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5864    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8133    0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114    1.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    5.4236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.8036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    5.4236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    8.9605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    7.8866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2848    7.4236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 34  1  0  0  0  0
  2 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  7 14  2  0  0  0  0
  7 20  1  0  0  0  0
  8 15  1  0  0  0  0
  8 20  2  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  CHG  2   3  -1   4   1
M  END

$$$$
D0B1EV
  -OEChem-10121501132D

 46 47  0     1  0  0  0  0  0999 V2000
    7.3190    1.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7313    1.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5403    0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6122    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0413    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2513    1.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8364    2.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1603    0.4541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    0.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 31  1  0  0  0  0
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  2 15  1  0  0  0  0
  3 12  2  0  0  0  0
  4 19  1  0  0  0  0
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  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 29  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
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 14 33  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
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 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D0B1FE
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    4.6783   -1.1824    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D0B1IP
  -OEChem-10121501422D

 56 56  0     0  0  0  0  0  0999 V2000
    3.7320   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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 10 28  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END

$$$$
D0B1IV
  -OEChem-04152110472D

176185  0     1  0  0  0  0  0999 V2000
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 97166  1  0  0  0  0
 99167  1  0  0  0  0
 99168  1  0  0  0  0
 99169  1  0  0  0  0
100101  1  0  0  0  0
101172  1  0  0  0  0
M  END

$$$$
D0B2DP
  -OEChem-04152122302D

 14 12  0     1  0  0  0  0  0999 V2000
    6.8671    0.5670    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -0.7990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    0.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4330    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    1.2990    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  2   5   1   7  -1
M  END

$$$$
D0B2GI
  -OEChem-10121500592D

 68 70  0     0  0  0  0  0  0999 V2000
    5.4921    2.8807    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    3.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4921    2.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4921    2.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.6193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4921    3.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.1193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9562    6.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    5.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9562    5.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902    7.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902    5.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    6.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    7.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    4.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -4.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -5.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -5.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -4.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -6.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -6.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    0.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -7.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4932    6.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    5.2607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683    5.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4887    7.8556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917    7.8556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917    4.9058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887    4.9058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0121    7.4633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6136    6.7730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1323    6.8438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3592    7.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5122    7.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8212    5.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552    4.1907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -4.9593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -4.1701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416   -6.0212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -6.8139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -1.7019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027   -1.0116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4140   -1.0367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0155   -1.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3463   -6.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2123   -6.9688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0892    1.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8951    1.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -2.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0892    0.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3312   -7.9471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454   -7.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2 18  2  0  0  0  0
  5 23  2  0  0  0  0
  6 27  2  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  7 48  1  0  0  0  0
  8 18  1  0  0  0  0
  8 49  1  0  0  0  0
  9 19  1  0  0  0  0
  9 23  1  0  0  0  0
  9 27  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 63  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 35  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  2  0  0  0  0
 20 31  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 29  2  0  0  0  0
 22 30  1  0  0  0  0
 24 34  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 32  2  0  0  0  0
 26 33  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 32  1  0  0  0  0
 29 61  1  0  0  0  0
 30 33  2  0  0  0  0
 30 62  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
M  END

$$$$
D0B2OT
  -OEChem-10101305032D

 25 24  0     0  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END

$$$$
D0B2UZ
  -OEChem-10121501232D

 49 52  0     0  0  0  0  0  0999 V2000
    9.8602   -1.2085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0829   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1284   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
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 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 43  1  0  0  0  0
 19 23  1  0  0  0  0
 19 44  1  0  0  0  0
 20 24  2  0  0  0  0
 20 45  1  0  0  0  0
 21 25  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0B2WJ
  -OEChem-10111523482D

 30 31  0     0  0  0  0  0  0999 V2000
    2.0000   -3.2220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.5880    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.8560    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  1  0  0  0  0
  4 20  1  0  0  0  0
  4 30  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 20  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D0B3HD
  -OEChem-10121500182D

 24 25  0     0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2656    1.9479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D0B3QM
  -OEChem-10191522532D

 27 27  0     1  0  0  0  0  0999 V2000
    4.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6951    0.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 26  1  0  0  0  0
  2  9  2  0  0  0  0
  3 14  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
M  END

$$$$
D0B3UJ
  -OEChem-10121501222D

 58 62  0     1  0  0  0  0  0999 V2000
    2.0000   -0.8027    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7684   -3.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6539    2.7082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055   -1.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7715    0.1736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9055    1.6736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1734   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0395    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6654   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5715    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7715    1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9055   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0395    1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1734    1.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5720   -0.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2609   -0.8309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1824    0.2588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7806    1.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4834    2.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
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 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 30 58  1  0  0  0  0
M  END

$$$$
D0B4DC
  -OEChem-10101305022D

 51 53  0     1  0  0  0  0  0999 V2000
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 24 51  1  0  0  0  0
M  END

$$$$
D0B4IF
  -OEChem-04152108392D

 64 68  0     1  0  0  0  0  0999 V2000
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 36 64  1  0  0  0  0
M  END

$$$$
D0B4JQ
  -OEChem-10121501262D

 40 41  0     1  0  0  0  0  0999 V2000
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 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END

$$$$
D0B4KH
  -OEChem-04152108442D

 18 14  0     0  0  0  0  0  0999 V2000
    6.4078    2.0000    0.0000 Tc  1  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  5   1   4   4  -1   5  -1   6  -1   7  -1
M  ISO  1   1  98
M  END

$$$$
D0B4RU
  -OEChem-10111523452D

 55 58  0     1  0  0  0  0  0999 V2000
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 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END

$$$$
D0B4TN
  -OEChem-10121501112D

 52 55  0     1  0  0  0  0  0999 V2000
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  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 21  1  0  0  0  0
 14 42  1  0  0  0  0
 15 22  2  0  0  0  0
 15 43  1  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 23  2  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  END

$$$$
D0B5FZ
  -OEChem-10101305032D

 52 56  0     1  0  0  0  0  0999 V2000
    7.6138    1.3694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1948   -3.3737    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0563   -2.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -1.8141    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6318   -0.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7733   -1.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1251    0.7535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -0.3255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6761   -0.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2928    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6730   -0.0831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7690   -1.8610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4153   -2.7474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9664   -3.1808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.4188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6777   -0.2515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0043   -1.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    1.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2223   -0.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7702   -1.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0314   -2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5758    1.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6356    0.8845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9461   -0.8103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8819    2.7928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1292    1.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8551    2.1997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0657   -3.7928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4467   -2.7888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2 15  1  0  0  0  0
  2 34  1  0  0  0  0
  3 19  2  0  0  0  0
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  8 19  1  0  0  0  0
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 18  9  1  6  0  0  0
  9 25  1  0  0  0  0
  9 40  1  0  0  0  0
 10 23  1  0  0  0  0
 10 26  1  0  0  0  0
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 12 33  2  0  0  0  0
 13 29  2  0  0  0  0
 14 32  1  0  0  0  0
 14 34  2  0  0  0  0
 15 32  2  0  0  0  0
 16 34  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  1  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  2  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 33  1  0  0  0  0
 31 46  1  0  0  0  0
 33 47  1  0  0  0  0
 35 48  1  0  0  0  0
 35 49  1  0  0  0  0
 35 50  1  0  0  0  0
M  CHG  2   4  -1  11   1
M  END

$$$$
D0B5LF
  -OEChem-10101305032D

 39 40  0     1  0  0  0  0  0999 V2000
    2.5369    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9399    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5790   -3.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
 11  2  1  1  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 35  1  0  0  0  0
  4 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END

$$$$
D0B5MP
  -OEChem-10121500302D

 27 28  0     0  0  0  0  0  0999 V2000
    7.3704    0.8632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9702    2.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.2936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.9030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811    1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596    2.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    1.2766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    0.7443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.0983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6605    2.4334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0672    1.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6801    1.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2734    1.9326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5769    3.0983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  1  0  0  0  0
  3 27  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 12 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D0B6CC
  -OEChem-10101305022D

 51 55  0     1  0  0  0  0  0999 V2000
    3.6095    2.1644    0.0000 S   0  3  3  0  0  0  0  0  0  0  0  0
    6.0010   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4191   -0.3191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7212    0.6269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095    0.6255    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3004    1.2133    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9185    1.2133    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6095    2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037    2.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132   -0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4224    0.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0379   -2.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6336    3.3878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4315    4.4739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6  9  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 42  1  0  0  0  0
 18 22  2  0  0  0  0
 18 43  1  0  0  0  0
 19 23  1  0  0  0  0
 19 44  1  0  0  0  0
 20 24  2  0  0  0  0
 20 45  1  0  0  0  0
 21 25  2  0  0  0  0
 21 46  1  0  0  0  0
 22 25  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  2  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 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D0B6TW
  -OEChem-04152108442D

 56 57  0     1  0  0  0  0  0999 V2000
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   13.9362   -0.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1305   -1.9380    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6651   -3.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1878    0.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1878    2.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5897    1.3686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2596   -0.1314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7179    2.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3218    1.3686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3218    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4557    0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0538    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0538    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9478    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1878   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7237    0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8538    2.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7237   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3936   -0.6314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9916   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241   -1.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9916    0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577   -0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1256   -0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9153   -2.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002   -0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -2.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3218    0.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1097    2.9512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7112    2.2609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8543    0.3936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1878    3.4886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5897    1.9886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7247   -0.4414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3896    1.0357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4341   -0.0128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4881   -2.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7155    3.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2560    2.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 21  2  0  0  0  0
  3 22  2  0  0  0  0
  4 32  2  0  0  0  0
  5 34  1  0  0  0  0
  6 34  2  0  0  0  0
  7 35  1  0  0  0  0
  8 35  2  0  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
  9 22  1  0  0  0  0
 10 17  1  0  0  0  0
 10 20  1  0  0  0  0
 10 41  1  0  0  0  0
 11 18  1  0  0  0  0
 11 23  1  0  0  0  0
 11 42  1  0  0  0  0
 12 20  1  0  0  0  0
 12 24  2  0  0  0  0
 13 21  1  0  0  0  0
 13 24  1  0  0  0  0
 13 44  1  0  0  0  0
 27 14  1  1  0  0  0
 14 32  1  0  0  0  0
 14 52  1  0  0  0  0
 15 24  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 30  1  0  0  0  0
 25 45  1  0  0  0  0
 26 31  2  0  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 34  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 33 35  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  CHG  3   1   2   5  -1   7  -1
M  END

$$$$
D0B7EB
  -OEChem-10121500592D

 74 80  0     1  0  0  0  0  0999 V2000
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 26  8  1  1  0  0  0
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 28 31  1  0  0  0  0
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 29 32  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
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 31 32  2  0  0  0  0
 33 37  1  0  0  0  0
 33 58  1  0  0  0  0
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 35 40  1  6  0  0  0
 35 60  1  0  0  0  0
 36 39  1  0  0  0  0
 37 39  2  0  0  0  0
 38 63  1  0  0  0  0
 38 64  1  0  0  0  0
 40 65  1  0  0  0  0
 40 66  1  0  0  0  0
 40 67  1  0  0  0  0
 41 69  1  0  0  0  0
 41 70  1  0  0  0  0
 41 71  1  0  0  0  0
 42 72  1  0  0  0  0
 42 73  1  0  0  0  0
 42 74  1  0  0  0  0
M  END

$$$$
D0B7NG
  -OEChem-04152109092D

 38 39  0     1  0  0  0  0  0999 V2000
    4.5981   -3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
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  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
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 10 15  2  0  0  0  0
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 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  2  0  0  0  0
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 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 16 19  2  0  0  0  0
 16 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D0B7OD
  -OEChem-10101305032D

 34 34  0     1  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2087    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  8  1  0  0  0  0
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  5  9  1  0  0  0  0
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  6 10  1  0  0  0  0
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 10 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
M  END

$$$$
D0B7YT
  -OEChem-04152121562D

 43 46  0     1  0  0  0  0  0999 V2000
   12.2367   -0.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9661   -1.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3565    1.4410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2514   -1.0996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5934   -0.1599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8787   -0.5075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6198    0.4584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6070   -1.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1882    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8298   -0.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8565    2.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  1  0  0  0
  7  1  1  1  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
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 10 12  1  0  0  0  0
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 10 28  1  0  0  0  0
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 22 43  1  0  0  0  0
M  END

$$$$
D0B8LN
  -OEChem-04152122242D

115116  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0B8MZ
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END

$$$$
D0B8QB
  -OEChem-10101305032D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Mg  0  0  0  0  0 15  0  0  0  0  0  0
M  END

$$$$
D0B8SV
  -OEChem-10121500242D

 73 77  0     1  0  0  0  0  0999 V2000
    8.4752    2.2226    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.1980    2.4007    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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 44 67  1  0  0  0  0
M  END

$$$$
D0B8SY
  -OEChem-04152122232D

 57 54  0     1  0  0  0  0  0999 V2000
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 22 26  1  0  0  0  0
 22 36  1  0  0  0  0
 23 27  1  0  0  0  0
 23 37  1  0  0  0  0
 24 28  1  0  0  0  0
 24 38  1  0  0  0  0
 25 29  1  0  0  0  0
 25 39  1  0  0  0  0
 26 30  1  0  0  0  0
 26 40  1  0  0  0  0
 27 31  1  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  CHG  3   1   2  14  -1  16  -1
M  END

$$$$
D0B8UJ
  -OEChem-10121501082D

 36 38  0     1  0  0  0  0  0999 V2000
    5.8055    0.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515   -0.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    2.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    3.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.7737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.3832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    0.4842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3919    0.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3452    1.4842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3947    1.7949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0873    2.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454   -0.1280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794    0.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493    2.0967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.8929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    3.2357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    2.4563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    0.1462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7212    1.8174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.5784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5672    4.0784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930   -3.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -4.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
 11  2  1  6  0  0  0
  2 28  1  0  0  0  0
 13  3  1  1  0  0  0
  3 29  1  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  5 19  1  0  0  0  0
  5 21  1  0  0  0  0
 12  6  1  6  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 16  1  0  0  0  0
  8 20  2  0  0  0  0
  9 19  2  0  0  0  0
  9 20  1  0  0  0  0
 10 20  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  6  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D0B8WN
  -OEChem-10111523242D

 43 43  0     0  0  0  0  0  0999 V2000
    8.0337   -0.7098    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369   -1.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0615    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1590    1.3487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401   -0.7098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -0.6587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    0.9886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.3705    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.2970   -1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3459   -1.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7279   -1.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7768   -1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0369   -0.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0369   -0.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9912   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8322    0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0059   -1.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7855   -1.7606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2882   -1.7606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0679   -1.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    0.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5940   -1.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3737   -1.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6724    0.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8280    0.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0484    0.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4386    0.3972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7033    0.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2257    0.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7996   -1.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5808   -1.2104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1827   -0.4292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595   -1.2652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428    1.1802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    2.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.0726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  6 38  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  7 39  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  CHG  2   3  -1   8   1
M  END

$$$$
D0B9AO
  -OEChem-10121501022D

 60 64  0     0  0  0  0  0  0999 V2000
   10.2117    2.5201    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.9847   -1.8332    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9847   -3.5652    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6186   -3.1992    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3507   -2.1992    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1124    3.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9011   -0.0398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186   -2.3332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8507   -1.3332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907    1.2649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4081    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182    2.9588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4847   -0.9672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    1.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081    0.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3862    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3568    1.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1294   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693    2.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2228    1.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9214   -1.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0888    1.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2228    0.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548    1.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548    0.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0888   -0.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9011    1.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4847    0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4847    0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847   -0.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9847   -0.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9847    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4847    0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4847   -2.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0105    0.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815    0.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.0247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3763    2.1780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    1.7917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7553    2.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9582    2.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -0.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4579    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3150   -1.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0888    2.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6747    2.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8647   -0.9672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2947    2.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1047    0.7649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 13  1  0  0  0  0
  2 38  1  0  0  0  0
  3 38  1  0  0  0  0
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  6 22  2  0  0  0  0
  7 28  1  0  0  0  0
  7 31  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 17  1  0  0  0  0
 11 19  2  0  0  0  0
 12 22  1  0  0  0  0
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 13 33  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 29  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 34 56  1  0  0  0  0
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 36 37  2  0  0  0  0
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 37 60  1  0  0  0  0
M  END

$$$$
D0B9EJ
  -OEChem-10101305022D

 44 47  0     1  0  0  0  0  0999 V2000
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 25 42  1  0  0  0  0
M  END

$$$$
D0B9JO
  -OEChem-10101305022D

227236  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0BA6T
  -OEChem-10191522522D

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  1 10  1  0  0  0  0
  1 26  1  0  0  0  0
  2 10  2  0  0  0  0
  3 13  1  0  0  0  0
  3 27  1  0  0  0  0
  4 15  1  0  0  0  0
  4 28  1  0  0  0  0
  6  5  1  1  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D0BA9U
  -OEChem-10111523592D

 51 54  0     1  0  0  0  0  0999 V2000
    8.0319    1.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6610    0.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -0.8783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.8076   -2.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4830   -1.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7  1  1  1  0  0  0
  1 47  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  1  0  0  0
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 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 23  3  0  0  0  0
 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 23 51  1  0  0  0  0
M  END

$$$$
D0BC2E
  -OEChem-10111523582D

 31 31  0     0  0  0  0  0  0999 V2000
    4.5981    3.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 31  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D0BD0Q
  -OEChem-04152109272D

118122  0     1  0  0  0  0  0999 V2000
   14.0212   -9.6285    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0BD8D
  -OEChem-04152108392D

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M  END

$$$$
D0BF8G
  -OEChem-10191522532D

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  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
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  7 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END

$$$$
D0BG4W
  -OEChem-04152122252D

  6  4  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
M  CHG  3   1   2   3  -1   4  -1
M  END

$$$$
D0BM5G
  -OEChem-10121501032D

 46 48  0     0  0  0  0  0  0999 V2000
    2.8660    2.7531    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5846   -1.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7128   -2.7877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3961    0.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1243   -0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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  2 23  1  0  0  0  0
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  4 18  2  0  0  0  0
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 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 38  1  0  0  0  0
 16 17  3  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
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 21 40  1  0  0  0  0
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 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D0BN9X
  -OEChem-10121500532D

 66 67  0     1  0  0  0  0  0999 V2000
    8.5991    4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18  8  1  6  0  0  0
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 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
M  END

$$$$
D0BP9C
  -OEChem-10101305022D

 43 45  0     0  0  0  0  0  0999 V2000
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  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 37  1  0  0  0  0
  4 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  5 21  1  0  0  0  0
  6 21  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7 27  3  0  0  0  0
  8 28  3  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 27  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 28  1  0  0  0  0
M  END

$$$$
D0BQ8Y
  -OEChem-10111523472D

 11 10  0     0  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END

$$$$
D0BU0J
          01220513542D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
    3.0292   -3.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6042   -2.7792    0.0000 N   0  0  3  0  0  0           0  0  0
    2.4167   -2.8375    0.0000 N   0  3  0  0  0  0           0  0  0
    3.2500   -3.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1750   -3.1917    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.7792   -2.8417    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.2417   -2.1292    0.0000 N   0  0  0  0  0  0           0  0  0
    5.4042   -3.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4250   -2.1292    0.0000 O   0  5  0  0  0  0           0  0  0
    1.8000   -3.1875    0.0000 O   0  0  0  0  0  0           0  0  0
    6.0167   -2.8375    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.6042   -2.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6292   -1.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0125   -2.1292    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  2  1  0     0  0
  6  4  1  0     0  0
  7  9  2  0     0  0
  8  5  1  0     0  0
  9 14  1  0     0  0
 10 17  2  0     0  0
 11  8  2  0     0  0
 12  3  1  0     0  0
 13  3  2  0     0  0
 14 11  1  0     0  0
 15  7  1  0     0  0
 16  2  1  0     0  0
 17 18  1  0     0  0
 18 14  2  0     0  0
  6  5  2  0     0  0
  7 10  1  0     0  0
M  CHG  2   3   1  12  -1
M  END

$$$$
D0BV3J
          08290700062D 1   1.00000     0.00000     0

 35 38  0     1  0            999 V2000
   -2.0414    1.6690    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2828    1.9966    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5897    2.2966    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3034    0.8862    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5724    1.5724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3552    2.8241    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1586    3.0069    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.4034    2.1276    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1069    0.7276    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5793    0.7448    0.0000 C   0  0  2  0  0  0           0  0  0
   -3.6655    1.3483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1310    0.3207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3069    0.3517    0.0000 N   0  0  0  0  0  0           0  0  0
    0.8586    0.7207    0.0000 N   0  0  0  0  0  0           0  0  0
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   -1.3207   -0.4793    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.0448   -0.8793    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.6207   -0.9103    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.0138    1.9310    0.0000 O   0  0  0  0  0  0           0  0  0
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    1.6345   -2.3379    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.7931   -3.1414    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5759   -3.4241    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
 10  5  1  6     0  0
  8 11  2  0     0  0
 10 12  1  0     0  0
 10 13  1  0     0  0
 12 14  1  0     0  0
 12 15  2  0     0  0
 13 16  1  0     0  0
 14 17  1  0     0  0
 16 18  1  0     0  0
 16 19  2  0     0  0
 17 20  1  1     0  0
 17 21  1  0     0  0
 18 22  1  0     0  0
 18 23  1  0     0  0
 18 24  1  0     0  0
 20 25  1  0     0  0
 21 26  1  0     0  0
 25 27  1  0     0  0
 25 28  2  0     0  0
 26 29  2  0     0  0
 27 30  2  0     0  0
 27 31  1  0     0  0
 28 32  1  0     0  0
 30 33  1  0     0  0
 31 34  2  0     0  0
 33 35  2  0     0  0
  6  7  1  0     0  0
  9 11  1  0     0  0
 30 32  1  0     0  0
 34 35  1  0     0  0
M  END

$$$$
D0BZ7W
  -OEChem-10121500132D

 55 56  0     1  0  0  0  0  0999 V2000
    3.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 17  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 32  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 18  2  0  0  0  0
 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
 19 20  2  0  0  0  0
 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

$$$$
D0C0SK
  -OEChem-10121500282D

 30 31  0     0  0  0  0  0  0999 V2000
    4.2690    3.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -1.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -0.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  2  0  0  0  0
  3 10  2  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D0C1BG
  -OEChem-04152110312D

 47 47  0     1  0  0  0  0  0999 V2000
    4.2690   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
 14  2  1  1  0  0  0
 17  2  1  6  0  0  0
 12  3  1  6  0  0  0
  3 35  1  0  0  0  0
 13  4  1  1  0  0  0
  4 36  1  0  0  0  0
 15  5  1  1  0  0  0
  5 37  1  0  0  0  0
 18  6  1  1  0  0  0
  6 42  1  0  0  0  0
 19  7  1  6  0  0  0
  7 43  1  0  0  0  0
  8 20  1  0  0  0  0
  8 44  1  0  0  0  0
 21  9  1  1  0  0  0
  9 45  1  0  0  0  0
 10 22  1  0  0  0  0
 10 46  1  0  0  0  0
 11 23  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  1  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D0C1IW
  -OEChem-10191522522D

 47 50  0     1  0  0  0  0  0999 V2000
    2.8819    0.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024    3.8086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140    0.3117    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.4021   -3.8785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7421    1.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980   -0.7298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5320   -1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640   -1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139    0.3186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5160    0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640   -2.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980   -2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140   -3.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2858    0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819   -3.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    0.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220   -2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8742    2.3119    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.0101    1.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374   -0.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6127    0.9386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9170    1.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1187    1.3154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0886   -1.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5896    0.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    1.1054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9820    1.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998   -2.9564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0886   -2.4205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6881   -4.4286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5184   -4.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0758   -4.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779    2.1273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099    2.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    3.2066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    3.8953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    2.3443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    1.4965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222    1.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 23  1  0  0  0  0
  2 47  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 37  1  0  0  0  0
  5 18  1  0  0  0  0
 22  5  1  1  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  1  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  1  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 20  2  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D0C1PY
  -OEChem-04152122272D

  8  6  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D0C1QS
  -OEChem-04152122252D

 34 35  0     0  0  0  0  0  0999 V2000
    2.0280   -3.9920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -3.9920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    1.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.5469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222    3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0234    2.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601   -3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.1635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    0.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    3.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245    2.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1886    4.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3700    4.5584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0558    3.7398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9586    2.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400    2.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0882    3.5905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -2.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5 13  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D0C1QZ
  -OEChem-10101305032D

 21 20  0     0  0  0  0  0  0999 V2000
    2.5369   -0.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0855    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4145    0.0000 C  -1  0  0  0  0  0  0  0  0  0  0  0
    4.6350    0.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.0604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.0604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.7245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    0.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   -0.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720    1.0906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    1.3175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450   -1.4884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720   -0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.3895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.3895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  CHG  1   2   1
M  ISO  1   4  11
M  END

$$$$
D0C1SF
  -OEChem-10101305022D

 41 43  0     1  0  0  0  0  0999 V2000
    6.5792    1.3858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3536   -0.4477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2766   -1.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -0.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -4.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100    1.3858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5687    3.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -1.0354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6786   -1.5354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6786   -2.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7356   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4106   -1.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937   -1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0446    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5446   -3.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4106   -2.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5099    1.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1426   -1.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5339    3.7275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  8  2  1  6  0  0  0
  2 15  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  2  0  0  0  0
  5 16  2  0  0  0  0
  6 18  1  0  0  0  0
  6 23  1  0  0  0  0
  7 21  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  1  0  0  0
  9 25  1  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D0C1WH
  -OEChem-10121500342D

 33 35  0     0  0  0  0  0  0999 V2000
    3.5827    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.7445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0457   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2 20  2  0  0  0  0
  3 13  2  0  0  0  0
  3 20  1  0  0  0  0
  4 21  3  0  0  0  0
  5 22  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  2  0  0  0  0
 11 26  1  0  0  0  0
 12 17  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  2  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D0C2EP
  -OEChem-10101305032D

 94 97  0     1  0  0  0  0  0999 V2000
    7.7331    2.3840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -0.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3158   -2.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0C2II
  -OEChem-10121500592D

 22 22  0     0  0  0  0  0  0999 V2000
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 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D0C2YB
  -OEChem-04152108382D

 71 75  0     1  0  0  0  0  0999 V2000
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 39 43  1  0  0  0  0
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 43 67  1  0  0  0  0
 44 68  1  0  0  0  0
 44 69  1  0  0  0  0
 44 70  1  0  0  0  0
M  END

$$$$
D0C3BS
  -OEChem-04152109432D

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 49 86  1  0  0  0  0
M  END

$$$$
D0C3LP
  -OEChem-04152110112D

 57 55  0     1  0  0  0  0  0999 V2000
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    6.1870    3.1102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6820    1.4788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0384    1.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8181    1.7063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9209    3.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2724    3.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4928    3.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6330    1.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858    2.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3654    2.2732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442    2.2321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239    2.0664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1288    4.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8344    1.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9700    4.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2186    3.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5788    5.8830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3325    6.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2331    2.9381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9333    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6711    6.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3105   11.4277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4636   11.2008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6905   10.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2695   10.5808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 20  2  0  0  0  0
  3 22  1  0  0  0  0
  3 51  1  0  0  0  0
  4 22  2  0  0  0  0
  5 24  2  0  0  0  0
  6 29  1  0  0  0  0
  6 57  1  0  0  0  0
  7 29  2  0  0  0  0
 15  8  1  6  0  0  0
  8 20  1  0  0  0  0
  8 38  1  0  0  0  0
 17  9  1  1  0  0  0
  9 24  1  0  0  0  0
  9 43  1  0  0  0  0
 10 23  1  0  0  0  0
 10 27  1  0  0  0  0
 10 44  1  0  0  0  0
 11 21  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 25  1  0  0  0  0
 12 27  2  0  0  0  0
 13 26  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 22  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  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  CHG  1   1   2
M  END

$$$$
D0C3SW
  -OEChem-10121501442D

 38 41  0     0  0  0  0  0  0999 V2000
    8.5472   -1.9424    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0270   -1.9424    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -2.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   -1.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -1.6636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871   -3.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871   -3.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871    2.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871    3.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871    3.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9210    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531   -0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9210   -0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5470    1.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5470   -0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4531    0.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4531   -0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961   -2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -2.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -2.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3860    2.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8697    2.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3947    3.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1794    3.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    2.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3841    1.1464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3841   -0.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5399    1.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5399   -1.3182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9888    1.1693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9888   -0.4965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928   -3.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -2.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 38  1  0  0  0  0
  4 24  2  0  0  0  0
  5 15  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  2  0  0  0  0
  7 22  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D0C3YQ
          02240900062D 1   1.00000     0.00000     0

  8  6  0     0  0            999 V2000
    5.0167    1.6708    0.0000 S   0  0  3  0  0  0           0  0  0
    5.6292    1.3125    0.0000 O   0  5  0  0  0  0           0  0  0
    4.4042    1.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4000    2.0250    0.0000 O   0  0  0  0  0  0           0  0  0
    5.6292    2.0333    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1667    1.3208    0.0000 S   0  0  0  0  0  0           0  0  0
    6.6250    1.2833    0.0000 Na  0  3  0  0  0  0           0  0  0
    3.7875    1.6708    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  1  2  0     0  0
  6  8  1  0     0  0
  8  3  1  0     0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D0C4AM
  -OEChem-04152109572D

544551  0     1  0  0  0  0  0999 V2000
   58.8390  -14.5023    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   59.7050  -14.0023    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.8267   12.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9691   11.2493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7247   13.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5438    8.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0795   13.4556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7032   16.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1402    7.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2505    5.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1069   16.1322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3148   17.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3845    9.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2263   12.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8486   10.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6300   12.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0806    8.0599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7146   10.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5200   10.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7494    8.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.0807    4.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3485    5.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6883    6.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5806    7.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4314    6.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5807    5.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430    6.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668    9.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.0807    2.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5806    1.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0705    9.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0806    2.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0806    6.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   12.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.5806    5.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.4467    2.4977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.0447   -2.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.1787   -5.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.5806   -1.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.6428   -6.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.5806    0.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   52.7768  -10.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.3749   -8.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.1787   -9.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   56.2409  -11.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.3749  -14.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.3749  -18.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.3749  -15.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   58.4729  -16.1363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   60.5710  -15.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   60.5710  -18.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   63.1691  -14.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   64.0351  -17.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   63.1691  -13.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   64.9011  -17.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6927   14.1039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6633   11.6094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0791    9.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1895   15.0518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4459    7.3877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.5185    5.6938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5443   15.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6421   14.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2505    7.6939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4737   18.3974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5321   12.8887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.9826    8.6939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7147    7.6939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1652   10.6234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.4467   10.6939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.0806    6.3278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0552    9.0272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2146    3.8278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.0807    4.5957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1531    8.4091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1256    5.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.5806    3.7298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5078    8.4602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.5806    3.7298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6057    7.8422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.0806    4.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.0861    1.0272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.0806    4.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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277539  1  0  0  0  0
277540  1  0  0  0  0
M  END

$$$$
D0C4HG
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
   11.5263   -2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 10 12  1  0  0  0  0
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 17 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END

$$$$
D0C4LF
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
    4.2690    5.1550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  2 16  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
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 10 19  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
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 15 28  1  0  0  0  0
 17 30  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
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 34  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 26 27  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END

$$$$
D0C4NY
  -OEChem-04152110082D

 56 59  0     1  0  0  0  0  0999 V2000
   11.2461    2.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -2.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9892    0.8184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9354    1.1231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9354   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5190    0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0C4RB
  -OEChem-04152109182D

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 50 52  1  0  0  0  0
 51 54  1  0  0  0  0
 51104  1  0  0  0  0
 52 55  2  0  0  0  0
 52105  1  0  0  0  0
 53 56  1  0  0  0  0
 54 57  2  0  0  0  0
 54106  1  0  0  0  0
 55 57  1  0  0  0  0
 55107  1  0  0  0  0
 56 58  2  0  0  0  0
 56 59  1  0  0  0  0
 57108  1  0  0  0  0
 58 60  1  0  0  0  0
 58109  1  0  0  0  0
 59 61  2  0  0  0  0
 59110  1  0  0  0  0
 60 62  2  0  0  0  0
 60111  1  0  0  0  0
 61 62  1  0  0  0  0
 61112  1  0  0  0  0
 62113  1  0  0  0  0
M  END

$$$$
D0C4YC
  -OEChem-04152110372D

 18 18  0     0  0  0  0  0  0999 V2000
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D0C5XC
  -OEChem-10121500462D

 50 52  0     1  0  0  0  0  0999 V2000
    3.0000   -3.6574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.9945    2.1792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    6.3364    3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024    3.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6636    1.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    3.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3377    1.5547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0563    2.6782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7008    4.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
  2  9  1  0  0  0  0
 11  2  1  6  0  0  0
  3  4  1  0  0  0  0
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  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 25  1  0  0  0  0
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  8 32  1  0  0  0  0
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 10 36  1  0  0  0  0
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 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 17  2  0  0  0  0
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 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
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 15 19  1  0  0  0  0
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 16 20  2  0  0  0  0
 16 43  1  0  0  0  0
 17 21  1  0  0  0  0
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 18 22  2  0  0  0  0
 18 45  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 47  1  0  0  0  0
 21 24  2  0  0  0  0
 21 48  1  0  0  0  0
 22 24  1  0  0  0  0
 22 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END

$$$$
D0C6DT
  -OEChem-10121500382D

 43 45  0     1  0  0  0  0  0999 V2000
    7.9939    0.1690    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
   11.4939    1.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    1.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9939   -1.5630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9939    0.1690    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
   10.9939    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4939   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9939   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1 11  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 20  2  0  0  0  0
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 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D0C6NM
  -OEChem-04152109292D

 71 72  0     1  0  0  0  0  0999 V2000
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    9.3120    1.5598    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1211    0.1586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2902    1.7677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7902    0.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
M  END

$$$$
D0C6OQ
  CDK    9/16/09,9:44

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 11 12  1  0  0  0  0 
  8 11  1  0  0  0  0 
  7 15  1  0  0  0  0 
  2  5  1  0  0  0  0 
M  END

$$$$
D0C6QG
  -OEChem-04152122272D

 15 10  0     0  0  0  0  0  0999 V2000
    0.8660    1.2500    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END

$$$$
D0C7AA
  -OEChem-04152110092D

 29 30  0     0  0  0  0  0  0999 V2000
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 16 28  1  0  0  0  0
M  END

$$$$
D0C7ET
  -OEChem-04152109252D

 39 42  0     1  0  0  0  0  0999 V2000
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 13 20  1  0  0  0  0
 13 23  1  6  0  0  0
 14 17  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  6  0  0  0
 16 26  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  END

$$$$
D0C7JF
  -OEChem-10121501252D

 46 49  0     1  0  0  0  0  0999 V2000
    2.9686   -2.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8628   -4.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9316    4.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9354    3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 19  1  0  0  0  0
  2 19  2  0  0  0  0
  3 22  2  0  0  0  0
  4  5  1  0  0  0  0
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  5 24  1  1  0  0  0
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  6 25  1  1  0  0  0
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  8 13  1  0  0  0  0
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  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 18  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 20 22  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
M  END

$$$$
D0C8EU
  -OEChem-10121504072D

 20 21  0     0  0  0  0  0  0999 V2000
    3.7320    2.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -2.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.2754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.6861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0261   -2.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475   -1.2246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
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  8 14  1  0  0  0  0
  8 19  1  0  0  0  0
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 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

$$$$
D0C8FX
  -OEChem-04152122232D

 25 24  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2500    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
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 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 17  2  0  0  0  0
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 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END

$$$$
D0C8HR
  -OEChem-10101305032D

 57 60  0     1  0  0  0  0  0999 V2000
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    2.0000   -2.5622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0C9SY
  -OEChem-04152108532D

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M  END

$$$$
D0C9XJ
  -OEChem-10101305022D

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 36 38  2  0  0  0  0
 36 62  1  0  0  0  0
 37 38  1  0  0  0  0
 37 64  1  0  0  0  0
 38 65  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
M  END

$$$$
D0CA6J
  -OEChem-10101305032D

 36 38  0     1  0  0  0  0  0999 V2000
    3.5827   -0.8318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.8318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    3.8318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.3706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    3.2070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.1682    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1808    0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
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  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 29  1  0  0  0  0
 14 20  2  0  0  0  0
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 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END

$$$$
D0CF0Y
  -OEChem-10111523082D

 61 64  0     1  0  0  0  0  0999 V2000
    7.1962   -3.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -3.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6780    3.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9179    2.7420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4856    1.4978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  1  0  0  0  0
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 23  7  1  1  0  0  0
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 11 10  1  1  0  0  0
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 15 40  1  0  0  0  0
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 16 43  1  0  0  0  0
 17 20  1  0  0  0  0
 17 46  1  0  0  0  0
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 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 22 25  2  0  0  0  0
 22 51  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 52  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 31  1  0  0  0  0
 29 59  1  0  0  0  0
 30 32  2  0  0  0  0
 30 60  1  0  0  0  0
 31 33  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D0CF2Q
  -OEChem-10121501182D

 26 28  0     1  0  0  0  0  0999 V2000
    7.4851   -0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5878   -0.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.5388   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8400    1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  1  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END

$$$$
D0CK3G
  -OEChem-10121501272D

 25 25  0     0  0  0  0  0  0999 V2000
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    3.3100   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7866   -1.5268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115   -2.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085   -2.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300    1.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  3  0  0  0  0
 12 23  1  0  0  0  0
M  END

$$$$
D0CL9S
  -OEChem-10101305022D

 31 32  0     1  0  0  0  0  0999 V2000
    4.5411   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -2.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.1664    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -0.6275    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9230   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.1664    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8198   -2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -2.7188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -0.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -2.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -3.5714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277   -2.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1788   -3.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    2.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  8  2  1  6  0  0  0
  2 26  1  0  0  0  0
  3 12  1  0  0  0  0
  3 28  1  0  0  0  0
  4 14  2  0  0  0  0
  5 16  2  0  0  0  0
  9  6  1  1  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  1  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D0CP4E
  -OEChem-10121501042D

 32 34  0     0  0  0  0  0  0999 V2000
    5.5096    0.5528    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9123   -0.6327    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0405    0.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -2.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -0.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0444   -0.1360    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -1.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742   -0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742   -2.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896   -1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803   -0.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -2.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803   -1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7765    1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879    1.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    2.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104    2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    2.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670    0.4945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7364   -2.8881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -2.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7049   -0.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7049   -1.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160   -1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4954    1.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5915    2.3907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    3.0151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039    3.4926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 16  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 20 22  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D0CQ0Z
  -OEChem-10101305022D

 63 66  0     0  0  0  0  0  0999 V2000
    5.0000   -6.3301    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4019   -5.8301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7680   -4.4641    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -6.1962    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    6.3301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -2.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -3.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -3.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -4.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -4.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -5.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680   -5.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    4.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    5.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    5.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8923   -2.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826   -2.5422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -1.8626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -1.8626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077    0.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174   -0.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -0.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    0.6665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    1.5325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    0.7354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    1.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    2.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -2.5201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -3.5201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030   -3.5201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030   -5.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100    3.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    4.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800    4.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    4.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    4.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900    6.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  9  1  0  0  0  0
  7 51  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 52  1  0  0  0  0
 19 21  1  0  0  0  0
 19 53  1  0  0  0  0
 20 24  2  0  0  0  0
 20 54  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 22 29  1  0  0  0  0
 23 28  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  0  0  0  0
 27 32  1  0  0  0  0
 27 56  1  0  0  0  0
 28 31  1  0  0  0  0
 28 57  1  0  0  0  0
 29 34  2  0  0  0  0
 29 59  1  0  0  0  0
 30 33  2  0  0  0  0
 30 58  1  0  0  0  0
 31 35  2  0  0  0  0
 31 61  1  0  0  0  0
 32 36  2  0  0  0  0
 32 60  1  0  0  0  0
 33 35  1  0  0  0  0
 33 63  1  0  0  0  0
 34 36  1  0  0  0  0
 34 62  1  0  0  0  0
M  END

$$$$
D0CS2F
  -OEChem-10121501182D

 67 70  0     0  0  0  0  0  0999 V2000
    7.8660    5.4820    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    2.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.0179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9397   -2.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    2.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 47  1  0  0  0  0
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  4  9  1  0  0  0  0
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  7  9  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
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 11 43  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 14 19  1  0  0  0  0
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 15 22  1  0  0  0  0
 16 21  2  0  0  0  0
 16 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 48  1  0  0  0  0
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 19 49  1  0  0  0  0
 20 27  1  0  0  0  0
 20 50  1  0  0  0  0
 21 28  1  0  0  0  0
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 23 30  2  0  0  0  0
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 27 34  2  0  0  0  0
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 28 33  2  0  0  0  0
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 29 34  1  0  0  0  0
 29 58  1  0  0  0  0
 30 33  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
M  END

$$$$
D0CT4D
  -OEChem-10101305032D

 35 35  0     1  0  0  0  0  0999 V2000
    5.4921   -0.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.1302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.9086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    1.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5411   -0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4632    3.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135    1.4611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
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  4 13  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  1  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END

$$$$
D0CT9C
  -OEChem-10121501132D

 29 29  0     1  0  0  0  0  0999 V2000
    5.0000   -2.7320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.5000   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1340    1.2320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0000    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219    2.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D0CT9Y
  -OEChem-10191522532D

 57 59  0     0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0CW1P
  -OEChem-10121501052D

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M  END

$$$$
D0CZ1Q
  -OEChem-10121504072D

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  4 56  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  1  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  6  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  1  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  1  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 21  1  6  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  1  0  0  0  0
 15 22  1  1  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 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
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  2  0  0  0  0
 23 50  1  0  0  0  0
 24 27  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
M  END

$$$$
D0D0BE
  -OEChem-04152110472D

 24 24  0     1  0  0  0  0  0999 V2000
    7.1013   -0.8644    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3692   -1.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5835    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    0.6356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    2.1744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.9143    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692   -0.8644    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3122    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926   -0.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912   -0.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9062   -1.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8367    0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    2.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717    0.3247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    0.7228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9062   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D0D0BM
  -OEChem-04152122302D

633642  0     1  0  0  0  0  0999 V2000
   43.4128   39.6677    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   23.7607   71.9777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.6589   39.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6565   38.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3325   55.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3432   54.1163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7954    3.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0916    3.7317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8778   35.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4288   27.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2480   26.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8919   43.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6814   52.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5349   33.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7561   30.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6396   58.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5492    1.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5536   44.6151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9406    5.9415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   30.4484   49.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   27.1866   22.7354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422    6.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7006   59.8271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.9788   20.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   32.0332   30.1887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2183    6.1255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   33.5505   32.3562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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322627  1  0  0  0  0
323324  1  0  0  0  0
323628  1  0  0  0  0
M  CHG  2   1   2  61  -1
M  END

$$$$
D0D0GV
  -OEChem-04152122262D

 36 37  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4610    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4610    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5981    2.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730    2.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0155    1.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057    1.4284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1807    3.9831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6231    3.3035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6231    2.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057    4.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0155    3.9831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7741    2.0759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -2.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  2  0  0  0  0
  4 19  1  0  0  0  0
  4 36  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D0D0SH
  -OEChem-02061504062D

 88 89  0     1  0  0  0  0  0999 V2000
    7.1962   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0D0YM
  -OEChem-04152108542D

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M  END

$$$$
D0D0ZD
  -OEChem-10121500302D

 31 31  0     1  0  0  0  0  0999 V2000
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 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D0D1AL
  -OEChem-10121501582D

 49 51  0     0  0  0  0  0  0999 V2000
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 25 49  1  0  0  0  0
M  END

$$$$
D0D1BR
  -OEChem-04152109352D

 62 64  0     1  0  0  0  0  0999 V2000
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 16  8  1  6  0  0  0
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 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
M  END

$$$$
D0D1DI
  -OEChem-10121501382D

 49 50  0     1  0  0  0  0  0999 V2000
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 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0D1HA
  -OEChem-04152108382D

 47 49  0     1  0  0  0  0  0999 V2000
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   13.1643   -1.1296    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1373    0.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
 30 45  1  0  0  0  0
M  END

$$$$
D0D1HW
  -OEChem-04152108382D

 23 25  0     0  0  0  0  0  0999 V2000
    3.7817    1.7143    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D0D1MA
  -OEChem-10121501222D

 59 60  0     1  0  0  0  0  0999 V2000
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 20 24  2  0  0  0  0
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 23 25  2  0  0  0  0
 23 57  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D0D1SG
  -OEChem-10111523582D

 54 57  0     1  0  0  0  0  0999 V2000
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 10  1  1  6  0  0  0
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 13  2  1  1  0  0  0
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 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
M  END

$$$$
D0D2TN
  -OEChem-10121501092D

 61 64  0     1  0  0  0  0  0999 V2000
    4.7950    0.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  1  1  1  0  0  0
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 10 32  1  0  0  0  0
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 17 23  1  0  0  0  0
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 22 25  2  0  0  0  0
 22 53  1  0  0  0  0
 23 27  1  0  0  0  0
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 25 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
M  END

$$$$
D0D2VS
  -OEChem-10121501072D

 46 49  0     1  0  0  0  0  0999 V2000
    8.6500    2.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.4070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.7430   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8763   -0.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0131    2.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    3.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    2.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8361    1.0841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1132   -2.9743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1871   -2.9702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  6  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  1  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  1  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  6  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  1  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 16  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 21  2  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 22  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
M  END

$$$$
D0D3DU
  -OEChem-04152122292D

 55 55  0     1  0  0  0  0  0999 V2000
   15.5721   -4.0871    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   16.4554    0.4096    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.1196   -1.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875   -0.0871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.7273    1.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5759   -3.0871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.8439   -3.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.9396    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   12.9914    0.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.4324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    3.5017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.4671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.4671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8555   -0.0804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8516   -1.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157   -1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2593    0.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234   -0.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273    0.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914   -0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    1.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709    2.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7234    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7118   -2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8579    0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2414   -0.9704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6373   -1.6622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9938    1.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3259   -1.6938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9300   -1.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892    0.1283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4015    2.5529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3890   -0.6871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.1571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 22  2  0  0  0  0
  4 29  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  1  0  0  0  0
  7 32  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 28  1  0  0  0  0
 16  9  1  6  0  0  0
  9 22  1  0  0  0  0
  9 41  1  0  0  0  0
 10 25  1  0  0  0  0
 10 31  2  0  0  0  0
 11 30  1  0  0  0  0
 11 33  2  0  0  0  0
 12 33  1  0  0  0  0
 12 35  2  0  0  0  0
 13 34  2  0  0  0  0
 13 35  1  0  0  0  0
 14 34  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 35  1  0  0  0  0
 15 54  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 32  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 23 26  1  0  0  0  0
 23 44  1  0  0  0  0
 24 27  2  0  0  0  0
 24 45  1  0  0  0  0
 25 30  2  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  CHG  4   1   1   2   1   4  -1   6  -1
M  END

$$$$
D0D4CY
  -OEChem-10101305032D

 28 29  0     0  0  0  0  0  0999 V2000
    3.0000    0.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1340   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7320    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5970   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  2  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D0D4HN
  -OEChem-10101305022D

 52 56  0     1  0  0  0  0  0999 V2000
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    8.8819   -1.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4178    1.4626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6857    1.4626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.1498    0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0D4IH
  -OEChem-04152108452D

 51 53  0     1  0  0  0  0  0999 V2000
    4.0698    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
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 10  2  1  1  0  0  0
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 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D0D4JO
  -OEChem-04152108482D

 55 58  0     1  0  0  0  0  0999 V2000
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 20  5  1  1  0  0  0
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 18 23  1  1  0  0  0
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 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END

$$$$
D0D4PB
  -OEChem-10121501412D

 54 55  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0D4YZ
  -OEChem-10101305032D

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M  END

$$$$
D0D5GD
  -OEChem-10121500202D

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  1 20  1  0  0  0  0
  2 13  2  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 19  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  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
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D0D5GG
  -OEChem-04152110472D

 21 22  0     1  0  0  0  0  0999 V2000
    2.8954    0.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645    0.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044    1.5817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    2.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    0.0429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7044   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2568   -0.2386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -3.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688    2.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

$$$$
D0D5SQ
  -OEChem-10121500432D

 53 57  0     0  0  0  0  0  0999 V2000
    6.2619   -2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.1818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5511    1.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7554    2.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459    2.7093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8902    3.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -0.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030    0.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136    1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -3.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5708   -0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    1.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5493   -0.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    1.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    0.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -0.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -0.5345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -1.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    0.9963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -1.4152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    1.3304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -3.4552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -3.8537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3782   -1.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3847    1.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634   -0.7965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4666    0.7433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.8631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7619   -2.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5397    2.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 27  1  0  0  0  0
  2 26  1  0  0  0  0
  2 52  1  0  0  0  0
  3 26  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6 31  2  0  0  0  0
  7  9  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 53  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 15 22  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 25  1  0  0  0  0
 23 28  2  0  0  0  0
 24 42  1  0  0  0  0
 25 29  2  0  0  0  0
 25 31  1  0  0  0  0
 27 33  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  1  0  0  0  0
 28 45  1  0  0  0  0
 29 32  1  0  0  0  0
 29 46  1  0  0  0  0
 30 32  2  0  0  0  0
 30 47  1  0  0  0  0
 32 48  1  0  0  0  0
 33 49  1  0  0  0  0
 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END

$$$$
D0D7EN
  SciTegic12111210002D

 13 14  0  0  0  0            999 V2000
   -0.6833   -0.4792    0.0000 C   0  0
   -1.5208    0.6583    0.0000 C   0  0
    1.4417    0.7500    0.0000 C   0  0
   -2.8958    0.2250    0.0000 S   0  0
   -1.5208   -1.6375    0.0000 C   0  0
    0.7375   -0.4792    0.0000 N   0  0
   -2.8958   -1.2000    0.0000 C   0  0
    0.8417    2.0458    0.0000 N   0  0
    2.8750    0.9000    0.0000 N   0  0
   -1.0833    2.0208    0.0000 Cl  0  0
   -1.0750   -3.0042    0.0000 C   0  0
    1.9042    3.0208    0.0000 C   0  0
    3.1667    2.3083    0.0000 C   0  0
  2  1  2  0
  3  6  1  0
  4  2  1  0
  5  1  1  0
  6  1  1  0
  7  5  2  0
  8  3  2  0
  9  3  1  0
 10  2  1  0
 11  5  1  0
 12  8  1  0
 13  9  1  0
  7  4  1  0
 13 12  1  0
M  END

$$$$
D0D7KC
  -OEChem-10121501382D

 63 65  0     1  0  0  0  0  0999 V2000
    6.7320    4.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6060    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -2.3940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.1060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2320    3.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  1 57  1  0  0  0  0
  2 20  2  0  0  0  0
  3 31  1  0  0  0  0
  3 63  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END

$$$$
D0D7LA
  -OEChem-10121500272D

 20 19  0     0  0  0  0  0  0999 V2000
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  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END

$$$$
D0D7TB
  -OEChem-04152108492D

 56 59  0     0  0  0  0  0  0999 V2000
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 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D0D8DD
  -OEChem-10121500132D

 57 59  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0D8VE
  -OEChem-10111523462D

  8  7  0     1  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END

$$$$
D0D8XY
  -OEChem-10111523422D

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 62 64  1  0  0  0  0
 62125  1  0  0  0  0
 63 65  2  0  0  0  0
 63126  1  0  0  0  0
 64 66  2  0  0  0  0
 64127  1  0  0  0  0
 65 66  1  0  0  0  0
 65128  1  0  0  0  0
 67 68  1  0  0  0  0
 67131  1  0  0  0  0
 67132  1  0  0  0  0
 68133  1  0  0  0  0
 68134  1  0  0  0  0
 68135  1  0  0  0  0
M  END

$$$$
D0D9FV
  -OEChem-10121501212D

 43 44  0     1  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10 16  1  0  0  0  0
 10 27  1  0  0  0  0
 11 17  2  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  2  0  0  0  0
 16 35  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END

$$$$
D0D9FW
          01240510142D 1   1.00000     0.00000     0

 26 25  0     0  0            999 V2000
    4.5583   -2.2417    0.0000 P   0  0  3  0  0  0           0  0  0
    3.3292   -0.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7167   -1.1792    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9458   -1.8917    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2042   -2.8542    0.0000 O   0  0  0  0  0  0           0  0  0
    7.0125   -2.2417    0.0000 N   0  3  3  0  0  0           0  0  0
    3.9458   -1.1792    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1708   -1.8917    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7167   -1.8917    0.0000 C   0  0  3  0  0  0           0  0  0
    3.3292   -2.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9125   -2.8542    0.0000 O   0  5  0  0  0  0           0  0  0
    3.3292   -0.1167    0.0000 C   0  0  3  0  0  0           0  0  0
    5.7833   -2.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1042   -2.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8792   -2.2417    0.0000 R   0  0  0  0  0  0           0  0  0
    1.4917   -1.8917    0.0000 O   0  0  0  0  0  0           0  0  0
    6.4000   -1.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3667   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6583   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6250   -1.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9458    0.2333    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7167    0.2333    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5583   -0.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1042   -0.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1708    0.2333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4917    0.2333    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3  9  1  0     0  0
  4  1  1  0     0  0
  5  1  2  0     0  0
  6 17  1  0     0  0
  7  2  2  0     0  0
  8  1  1  0     0  0
  9 10  1  0     0  0
 10  4  1  0     0  0
 11  1  1  0     0  0
 12  2  1  0     0  0
 13  8  1  0     0  0
 14  9  1  0     0  0
 15 16  1  0     0  0
 16 14  1  0     0  0
 17 13  1  0     0  0
 18  6  1  0     0  0
 19  6  1  0     0  0
 20  6  1  0     0  0
 21 12  1  0     0  0
 22 12  1  0     0  0
 23 21  1  0     0  0
 24 22  1  0     0  0
 25 23  1  0     0  0
 26 24  1  0     0  0
M  CHG  2   6   1  11  -1
M  END

$$$$
D0D9HW
  -OEChem-10101305032D

 33 34  0     1  0  0  0  0  0999 V2000
    7.5673   -2.6502    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8779   -3.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   -2.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -2.9608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.5429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889   -0.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -1.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5534   -1.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -0.4240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -0.9564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0968   -0.2127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0494    0.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1738    0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704   -1.6123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772   -1.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4846   -3.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456   -1.7328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1 17  1  0  0  0  0
 11  2  1  1  0  0  0
  2 17  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8 13  2  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 18  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D0D9JW
  -OEChem-10121500552D

 32 34  0     1  0  0  0  0  0999 V2000
    8.4299   -2.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836   -2.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6036    2.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1945    0.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1407   -1.0928    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7244   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1407    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1945   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2435    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2435   -1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6557   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4514   -2.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344    1.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    1.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    2.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9804   -1.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1852   -0.7028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1852    0.1266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6781    0.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8897    1.0836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0519   -1.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0357   -0.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6225   -2.8389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    3.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788    0.3471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    3.4285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942    0.6839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    2.2246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 27  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D0D9NA
  -OEChem-10101305022D

 64 67  0     0  0  0  0  0  0999 V2000
    2.0000    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  END

$$$$
D0D9NY
  -OEChem-10191523072D

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 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
M  END

$$$$
D0DD0K
  -OEChem-10121500442D

 53 56  0     0  0  0  0  0  0999 V2000
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    5.6990    1.0128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394    1.7101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5707    2.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373    3.3238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450   -1.8581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1986   -1.1001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4266   -1.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8296    1.1578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8296   -2.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2325    0.3478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    3.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    3.2104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    2.4292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0247   -2.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1229   -3.0189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8306   -1.1522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4276   -3.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8306   -2.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5632    2.0782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 49  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  2  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  2  0  0  0  0
  6  8  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 53  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 23  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 21  1  0  0  0  0
 18 41  1  0  0  0  0
 19 22  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 30  1  0  0  0  0
 27 50  1  0  0  0  0
 28 30  2  0  0  0  0
 28 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0DF9Z
  -OEChem-02061504192D

 52 29  0     0  0  0  0  0  0999 V2000
    0.2869    1.2500    0.0000 Si  0  0  0  0  0 15  0  0  0  0  0  0
    3.3608    2.5000    0.0000 Si  0  0  0  0  0 15  0  0  0  0  0  0
    6.4347    0.0000    0.0000 Si  0  0  0  0  0 15  0  0  0  0  0  0
    9.5086    2.5000    0.0000 Si  0  0  0  0  0 15  0  0  0  0  0  0
   12.5824    2.5000    0.0000 Al  0  0  0  0  0 15  0  0  0  0  0  0
    0.2869    3.7500    0.0000 Al  0  0  0  0  0 15  0  0  0  0  0  0
    3.3608    5.0000    0.0000 Mg  0  0  0  0  0 15  0  0  0  0  0  0
    6.4347    2.5000    0.0000 Mg  0  0  0  0  0 15  0  0  0  0  0  0
    9.7586    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8324    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6847    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8324    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6847    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8324   10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6847   10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1847   12.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3694    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2955    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0739    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3694    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2955    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2216    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1477   10.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2216    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1477    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955   10.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2216   10.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3694   10.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2216   10.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 38  1  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 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  CHG  1  23  -1
M  END

$$$$
D0DH5X
  -OEChem-04152111202D

 61 65  0     1  0  0  0  0  0999 V2000
   10.8131    1.1163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9306    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7975    2.5194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1886    2.6913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5912    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5969    3.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7103    2.1110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2101    2.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5203    2.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2619   -3.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4332    2.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4175    3.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2432    2.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2276    4.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1404    3.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4590    3.0531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0271    2.0927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2080    3.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5923    4.1179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7269    4.2103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0076    3.7967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8647    1.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2081    1.7475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1895    3.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963    2.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2408   -2.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2156   -4.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3791    0.8632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4969    1.6724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    3.9453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8092    2.6223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 12  1  1  1  0  0  0
  1 49  1  0  0  0  0
  2 24  2  0  0  0  0
  3 28  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 40  1  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  5 28  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 56  1  0  0  0  0
  7 21  2  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 34  1  1  0  0  0
  9 11  1  0  0  0  0
  9 13  1  6  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  6  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 21  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 26  1  0  0  0  0
 19 50  1  0  0  0  0
 20 27  2  0  0  0  0
 20 51  1  0  0  0  0
 22 29  1  0  0  0  0
 22 52  1  0  0  0  0
 23 30  2  0  0  0  0
 23 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 32  1  0  0  0  0
 29 31  2  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 30 58  1  0  0  0  0
 31 60  1  0  0  0  0
 32 33  2  0  0  0  0
 32 59  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D0DJ1B
  -OEChem-10121500342D

 31 32  0     1  0  0  0  0  0999 V2000
    9.5312    1.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
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 13 14  2  0  0  0  0
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 14 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D0DK8G
  -OEChem-04152122262D

 20 18  0     0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  2  9  2  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  ISO  1   1  99
M  END

$$$$
D0DK8V
  -OEChem-10111523242D

 52 54  0     1  0  0  0  0  0999 V2000
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 23 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END

$$$$
D0DN0W
  -OEChem-03081904032D

 63 66  0     1  0  0  0  0  0999 V2000
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 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
M  END

$$$$
D0DP6L
  -OEChem-10111523492D

 12 11  0     1  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
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  3  9  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END

$$$$
D0DQ7V
  -OEChem-03101900402D

188192  0     1  0  0  0  0  0999 V2000
   14.0807    6.5658    0.0000 Lu  2  1  0  0  0  0  0  0  0  0  0  0
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 71147  1  0  0  0  0
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 87162  1  0  0  0  0
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 91 96  2  0  0  0  0
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 92166  1  0  0  0  0
 92167  1  0  0  0  0
 93 98  1  0  0  0  0
 93168  1  0  0  0  0
 94169  1  0  0  0  0
 94170  1  0  0  0  0
 94171  1  0  0  0  0
 95172  1  0  0  0  0
 95173  1  0  0  0  0
 95174  1  0  0  0  0
 96 99  1  0  0  0  0
 96178  1  0  0  0  0
 97100  1  0  0  0  0
 97179  1  0  0  0  0
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 98 99  2  0  0  0  0
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100183  1  0  0  0  0
100184  1  0  0  0  0
101185  1  0  0  0  0
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M  CHG  4   1   3   5  -1   6  -1   7  -1
M  ISO  1   1 177
M  END

$$$$
D0DS5U
  -OEChem-04152110542D

 20 20  0     0  0  0  0  0  0999 V2000
    3.0000    1.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1340   -3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

$$$$
D0DT5E
  -OEChem-04152122302D

 42 43  0     1  0  0  0  0  0999 V2000
    6.3301   -1.7307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3245   -2.7693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1373   -0.7212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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  2 22  1  0  0  0  0
  2 26  1  0  0  0  0
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 10 12  1  0  0  0  0
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 10 15  1  0  0  0  0
 13 11  1  1  0  0  0
 11 19  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  6  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 23 27  1  0  0  0  0
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 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  CHG  2   3   1   6  -1
M  END

$$$$
D0DV3O
  -OEChem-10121501152D

 34 37  0     1  0  0  0  0  0999 V2000
    4.5438   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4295   -1.6864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 34  1  0  0  0  0
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  4 20  1  0  0  0  0
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  9 24  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
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 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D0DV6D
  -OEChem-03141904532D

 47 49  0     1  0  0  0  0  0999 V2000
    4.7755   -4.6114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6400    3.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    6.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  1  0  0  0
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 25 27  2  0  0  0  0
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 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
M  END

$$$$
D0DZ3X
  -OEChem-10121500072D

 17 17  0     1  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
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  7 15  1  0  0  0  0
M  END

$$$$
D0E0BD
  -OEChem-04152108372D

 77 79  0     0  0  0  0  0  0999 V2000
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 39 77  1  0  0  0  0
M  END

$$$$
D0E0CT
  -OEChem-04152109272D

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 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END

$$$$
D0E0KQ
  -OEChem-04152109222D

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 35 36  1  0  0  0  0
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 37 67  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
M  END

$$$$
D0E0LQ
  -OEChem-10111523402D

 59 62  0     0  0  0  0  0  0999 V2000
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 10 35  1  0  0  0  0
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 11 37  1  0  0  0  0
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 18 24  2  0  0  0  0
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 20 22  2  0  0  0  0
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 21 26  2  0  0  0  0
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 23 25  2  0  0  0  0
 23 48  1  0  0  0  0
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 25 50  1  0  0  0  0
 26 28  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  2  0  0  0  0
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 28 53  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END

$$$$
D0E0OG
  -OEChem-10121500432D

 31 33  0     1  0  0  0  0  0999 V2000
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 18 27  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END

$$$$
D0E0RY
  SciTegic12111210002D

 22 24  0  0  0  0            999 V2000
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  2  5  1  0
  3  1  1  0
  4  1  1  0
  5  4  2  0
  6  3  2  0
  7  1  2  0
  8 16  1  0
  9  2  1  0
 10  2  1  0
 11  7  1  0
 12  3  1  0
 13  4  1  0
 14  5  1  0
 15  6  1  0
 16 11  1  0
 17  8  1  0
 18  8  1  0
 19 21  1  0
 20 22  1  0
 21 13  2  0
 22 12  2  0
  6  2  1  0
 14 19  2  0
 15 20  2  0
M  END

$$$$
D0E0SW
  -OEChem-10101305032D

 29 30  0     0  0  0  0  0  0999 V2000
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  6  7  2  0  0  0  0
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  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 20  1  0  0  0  0
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 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D0E0WQ
  -OEChem-10101305022D

 25 25  0     0  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
  2  9  2  0  0  0  0
  3 13  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

$$$$
D0E1HC
  -OEChem-03101900402D

121127  0     1  0  0  0  0  0999 V2000
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 53105  1  0  0  0  0
 53106  1  0  0  0  0
 53107  1  0  0  0  0
 54103  1  0  0  0  0
 54104  1  0  0  0  0
 54108  1  0  0  0  0
 55109  1  0  0  0  0
 55110  1  0  0  0  0
 55111  1  0  0  0  0
 56112  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  2  0  0  0  0
 59 61  1  0  0  0  0
 60116  1  0  0  0  0
 61 62  1  0  0  0  0
 61 63  2  0  0  0  0
 62 64  2  0  0  0  0
 63 65  1  0  0  0  0
 63118  1  0  0  0  0
 64 66  1  0  0  0  0
 64119  1  0  0  0  0
 65 66  2  0  0  0  0
 65120  1  0  0  0  0
 66121  1  0  0  0  0
M  END

$$$$
D0E1OJ
  -OEChem-04152122252D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Xe  1  0  0  0  0  0  0  0  0  0  0  0
M  ISO  1   1 133
M  END

$$$$
D0E1SW
  -OEChem-10121500572D

 19 19  0     0  0  0  0  0  0999 V2000
    7.2144   -0.3481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -0.6269    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5234    0.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9053   -1.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    1.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1654   -0.6571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543    0.9120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 11  1  0  0  0  0
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  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

$$$$
D0E1WI
  -OEChem-04152122242D

 53 55  0     0  0  0  0  0  0999 V2000
    2.0000    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
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  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
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  6  8  1  0  0  0  0
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  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 37  1  0  0  0  0
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 11 15  2  0  0  0  0
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 13 18  2  0  0  0  0
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 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 20  1  0  0  0  0
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 18 23  1  0  0  0  0
 18 46  1  0  0  0  0
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 19 47  1  0  0  0  0
 20 22  2  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 25  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  END

$$$$
D0E1XL
  -OEChem-10121500592D

 26 26  0     1  0  0  0  0  0999 V2000
    5.4921    0.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3644    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2320    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  1  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END

$$$$
D0E2OU
  -OEChem-04152109532D

140147  0     1  0  0  0  0  0999 V2000
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   13.0406   -0.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4739   -3.7571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0412    0.8221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0E3BH
  -OEChem-10101305032D

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 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D0E3FD
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    7.0444   -0.1360    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -2.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -0.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879    1.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3802   -1.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742   -0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896   -1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742   -2.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -2.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7765    1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    2.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104    2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    2.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7364   -2.8881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7049   -0.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  2  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D0E3OF
  -OEChem-10121501012D

 39 41  0     1  0  0  0  0  0999 V2000
    6.3301    2.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0901    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 38  1  0  0  0  0
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  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
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  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 16 22  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  2  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 23  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D0E3RW
  -OEChem-04152109352D

 51 54  0     1  0  0  0  0  0999 V2000
    6.3582   -0.6340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.7218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1923   -1.1296    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9381    1.5787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1654    0.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3830   -2.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3494   -2.2638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5664    0.6127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6102   -1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3525   -1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 26  1  0  0  0  0
  2 32  1  0  0  0  0
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 16 10  1  1  0  0  0
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 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
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 29 42  1  0  0  0  0
 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
 30 45  1  0  0  0  0
 32 46  1  0  0  0  0
 33 47  1  0  0  0  0
 33 48  1  0  0  0  0
 33 49  1  0  0  0  0
M  END

$$$$
D0E3SF
  -OEChem-04152110172D

 82 87  0     1  0  0  0  0  0999 V2000
    4.2037    3.8237    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3396    3.3204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0678    4.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5634    5.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4653    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4653    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0E3SH
  -OEChem-10121501392D

 49 51  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0E3WQ
          11280715132D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
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 22 23  2  0     0  0
M  END

$$$$
D0E4DW
  -OEChem-10111523522D

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M  END

$$$$
D0E4SI
  -OEChem-10101305032D

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 38 50  1  1  0  0  0
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 39 42  1  0  0  0  0
 39 45  1  0  0  0  0
 39 51  1  0  0  0  0
 40 44  1  0  0  0  0
 40 87  1  0  0  0  0
 40 88  1  0  0  0  0
 41 53  1  6  0  0  0
 41 89  1  0  0  0  0
 42 90  1  0  0  0  0
 44 54  1  6  0  0  0
 44 91  1  0  0  0  0
 45 52  1  6  0  0  0
 45 92  1  0  0  0  0
 47 94  1  0  0  0  0
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 49100  1  0  0  0  0
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 49102  1  0  0  0  0
 50103  1  0  0  0  0
 50104  1  0  0  0  0
 50105  1  0  0  0  0
 51106  1  0  0  0  0
 51107  1  0  0  0  0
 51108  1  0  0  0  0
 52 57  1  0  0  0  0
 52109  1  0  0  0  0
 52110  1  0  0  0  0
 53111  1  0  0  0  0
 53112  1  0  0  0  0
 53113  1  0  0  0  0
 54114  1  0  0  0  0
 54115  1  0  0  0  0
 54116  1  0  0  0  0
 55121  1  0  0  0  0
 55123  1  0  0  0  0
 55124  1  0  0  0  0
 56122  1  0  0  0  0
 56125  1  0  0  0  0
 56126  1  0  0  0  0
 57127  1  0  0  0  0
 57128  1  0  0  0  0
 57129  1  0  0  0  0
 58130  1  0  0  0  0
 58131  1  0  0  0  0
 58132  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  1  0  0  0  0
 59133  1  0  0  0  0
 60 62  1  0  0  0  0
 60134  1  0  0  0  0
 60135  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 63139  1  0  0  0  0
 63140  1  0  0  0  0
 64141  1  0  0  0  0
 64142  1  0  0  0  0
 64143  1  0  0  0  0
M  END

$$$$
D0E4WR
  -OEChem-10121501392D

 29 28  0     0  0  0  0  0  0999 V2000
   11.1972    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 28  1  0  0  0  0
  2 12  1  0  0  0  0
  2 29  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END

$$$$
D0E6BB
  -OEChem-10101305022D

 89 91  0     1  0  0  0  0  0999 V2000
    8.5991    3.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1972    4.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -6.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0992   -0.3835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3312    0.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312   -3.8476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3312   -1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -2.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    2.6026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375    0.0442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681    5.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.6026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4092    3.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078    4.0902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1412    0.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.1726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2341    5.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0072    6.3855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681    6.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4512   -0.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5072    5.5195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8061   -1.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8061   -0.8509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    7.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551    6.4456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1413   -2.6524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9512    0.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0212    1.0195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.5076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.5076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8562   -2.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8563   -3.3801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    2.9575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4512   -3.8475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3062   -5.1811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412   -6.9826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  6  0  0  0
 23  1  1  6  0  0  0
 20  2  1  6  0  0  0
 28  2  1  6  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
 19  4  1  1  0  0  0
  4 58  1  0  0  0  0
 25  5  1  6  0  0  0
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 26  6  1  1  0  0  0
  6 65  1  0  0  0  0
  7 28  1  0  0  0  0
  7 35  1  0  0  0  0
  8 31  2  0  0  0  0
 33  9  1  6  0  0  0
  9 79  1  0  0  0  0
 10 41  1  0  0  0  0
 10 89  1  0  0  0  0
 18 11  1  1  0  0  0
 11 31  1  0  0  0  0
 11 52  1  0  0  0  0
 21 12  1  1  0  0  0
 12 55  1  0  0  0  0
 12 56  1  0  0  0  0
 24 13  1  1  0  0  0
 13 34  1  0  0  0  0
 13 62  1  0  0  0  0
 30 14  1  6  0  0  0
 14 73  1  0  0  0  0
 14 74  1  0  0  0  0
 15 38  1  0  0  0  0
 15 40  1  0  0  0  0
 15 82  1  0  0  0  0
 16 39  1  0  0  0  0
 16 83  1  0  0  0  0
 16 84  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 32  1  0  0  0  0
 30 63  1  0  0  0  0
 31 33  1  0  0  0  0
 32 36  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 33 37  1  0  0  0  0
 33 68  1  0  0  0  0
 34 69  1  0  0  0  0
 34 70  1  0  0  0  0
 34 71  1  0  0  0  0
 35 36  2  0  0  0  0
 35 38  1  0  0  0  0
 36 72  1  0  0  0  0
 37 39  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 38 77  1  0  0  0  0
 38 78  1  0  0  0  0
 39 80  1  0  0  0  0
 39 81  1  0  0  0  0
 40 41  1  0  0  0  0
 40 85  1  0  0  0  0
 40 86  1  0  0  0  0
 41 87  1  0  0  0  0
 41 88  1  0  0  0  0
M  END

$$$$
D0E6OC
  -OEChem-10121500482D

 41 42  0     0  0  0  0  0  0999 V2000
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 24 40  1  0  0  0  0
M  END

$$$$
D0E6XR
  -OEChem-10121500412D

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 33 59  1  0  0  0  0
M  END

$$$$
D0E6YQ
  -OEChem-10121500562D

 29 31  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0E7FS
  -OEChem-10101305022D

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M  END

$$$$
D0E7MV
  -OEChem-10101305022D

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M  END

$$$$
D0E7PQ
  -OEChem-10121501012D

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M  END

$$$$
D0E7QN
  -OEChem-10101305032D

 42 45  0     1  0  0  0  0  0999 V2000
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 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D0E7ZU
  -OEChem-04152110482D

 50 52  0     1  0  0  0  0  0999 V2000
    7.0244    3.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6161    0.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6161   -1.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9223    0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1302    1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0123   -0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2802    0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0282    2.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7983    2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2802   -0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3863    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3863   -1.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5303    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6585    0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802   -0.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -2.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8791    0.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9315    2.2059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1268   -0.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5340    0.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9122    2.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    1.4634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1981    1.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8382    1.5377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0684    2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2224    2.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6561   -0.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2785    0.5768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 21  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  6  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 12 15  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 16 20  1  0  0  0  0
 16 37  1  0  0  0  0
 17 21  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  ISO  6  45   2  46   2  47   2  48   2  49   2  50   2
M  END

$$$$
D0E8CI
  -OEChem-10111523242D

 43 45  0     0  0  0  0  0  0999 V2000
    3.5827    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0468    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3147   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1808   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 38  1  0  0  0  0
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 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D0E8LA
  -OEChem-03141904492D

 60 62  0     1  0  0  0  0  0999 V2000
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   11.0329    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
 17  3  1  6  0  0  0
  3 29  1  0  0  0  0
  4 28  1  0  0  0  0
  4 57  1  0  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 28  1  0  0  0  0
 17 43  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 44  1  0  0  0  0
 20 26  2  0  0  0  0
 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
M  END

$$$$
D0E8LT
  SciTegic12111210002D

 23 25  0  0  0  0            999 V2000
   -0.5583   -0.0042    0.0000 C   0  0
    1.3167   -0.8792    0.0000 N   0  3
   -1.7583   -0.0042    0.0000 C   0  0
    0.0542   -1.1125    0.0000 C   0  0
    0.3542    0.9000    0.0000 C   0  0
    1.4917    0.3333    0.0000 C   0  0
   -2.3833    1.0833    0.0000 C   0  0
   -2.4083   -1.1125    0.0000 C   0  0
    2.6792   -0.8792    0.0000 C   0  0
    1.3292   -2.1792    0.0000 C   0  0
   -0.5083   -2.3000    0.0000 C   0  0
   -3.6125    1.0833    0.0000 C   0  0
   -3.7625   -1.1250    0.0000 C   0  0
   -1.7958   -2.2000    0.0000 C   0  0
   -1.7458    2.1583    0.0000 C   0  0
    3.1042   -2.0875    0.0000 C   0  0
    0.2375   -2.7875    0.0000 C   0  0
   -2.3625    3.2708    0.0000 C   0  0
   -4.2208    2.2083    0.0000 C   0  0
   -4.3458   -2.1667    0.0000 C   0  0
   -2.4250   -3.2542    0.0000 C   0  0
   -3.5833    3.2458    0.0000 C   0  0
   -3.7250   -3.2542    0.0000 C   0  0
  2  4  1  0
  3  1  2  0
  4  1  1  0
  5  1  1  0
  6  5  1  0
  7  3  1  0
  8  3  1  0
  9  2  1  0
 10  2  1  0
 11  4  1  0
 12  7  1  0
 13  8  2  0
 14  8  1  0
 15  7  2  0
 16  9  1  0
 17 10  1  0
 18 15  1  0
 19 12  2  0
 20 13  1  0
 21 14  2  0
 22 19  1  0
 23 21  1  0
  2  6  1  0
 20 23  2  0
 18 22  2  0
M  CHG  1   2   1
M  END

$$$$
D0E9CD
  -OEChem-10101305022D

 19 19  0     0  0  0  0  0  0999 V2000
    2.8660    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END

$$$$
D0E9JM
  -OEChem-10101305032D

  2  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D0E9KA
  -OEChem-10121501362D

 65 68  0     1  0  0  0  0  0999 V2000
    7.6967    0.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0109   -1.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5462   -0.9240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8306    2.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9033   -2.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665    0.5369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3665   -0.4631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5000    0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    1.0369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2326   -0.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646   -0.9631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8219   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0986    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9646    0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3571   -3.7462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14  1  1  1  0  0  0
  1 51  1  0  0  0  0
  2 15  2  0  0  0  0
 21  3  1  1  0  0  0
  3 27  1  0  0  0  0
 20  4  1  1  0  0  0
  4 57  1  0  0  0  0
  5 25  1  0  0  0  0
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 13 22  1  1  0  0  0
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 14 20  1  0  0  0  0
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 16 38  1  0  0  0  0
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 16 40  1  0  0  0  0
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 17 43  1  0  0  0  0
 18 23  2  0  0  0  0
 18 44  1  0  0  0  0
 19 24  2  0  0  0  0
 19 45  1  0  0  0  0
 20 23  1  0  0  0  0
 20 46  1  0  0  0  0
 21 24  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 30 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
M  END

$$$$
D0E9PK
  -OEChem-04152109322D

 28 29  0     0  0  0  0  0  0999 V2000
    6.3301    0.0453    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.0453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.1386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132    2.9999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3552    3.3374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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  8 17  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D0E9TP
  -OEChem-04152110592D

 38 40  0     1  0  0  0  0  0999 V2000
    5.9405    0.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.4246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    3.1824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    2.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.1425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026    1.4228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
 10  2  1  6  0  0  0
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 12  3  1  6  0  0  0
  3 28  1  0  0  0  0
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 11  5  1  1  0  0  0
  5 15  1  0  0  0  0
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  7 15  2  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
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  9 21  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  1  0  0  0
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 15 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 30  1  0  0  0  0
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 18 32  1  0  0  0  0
 20 34  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D0E9WL
  -OEChem-10101305032D

 40 42  0     1  0  0  0  0  0999 V2000
    2.0000    0.9746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  1  0  0  0
  7 16  1  0  0  0  0
  7 31  1  0  0  0  0
 18  8  1  1  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 13  1  0  0  0  0
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 16 18  1  0  0  0  0
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 18 32  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D0E9WO
          01240521412D 1   1.00000     0.00000     0

 29 30  0     0  0            999 V2000
    5.0042   -2.8000    0.0000 N   0  0  3  0  0  0           0  0  0
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  2  1  1  0     0  0
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 10  3  2  0     0  0
 11  4  1  0     0  0
 12  6  2  0     0  0
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 14  8  1  0     0  0
 15  7  2  0     0  0
 16  7  1  0     0  0
 17  4  1  0     0  0
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 24 22  1  0     0  0
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 26 25  1  0     0  0
 27 21  1  0     0  0
 28 20  2  0     0  0
 29 27  2  0     0  0
  4  6  1  0     0  0
 28 29  1  0     0  0
M  END

$$$$
D0EB5N
  -OEChem-03141904502D

 80 83  0     1  0  0  0  0  0999 V2000
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 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 35 77  1  0  0  0  0
M  END

$$$$
D0EC6Q
  -OEChem-10121501272D

 40 41  0     1  0  0  0  0  0999 V2000
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 20 40  1  0  0  0  0
M  END

$$$$
D0ED7U
  -OEChem-10121500292D

 50 52  0     1  0  0  0  0  0999 V2000
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 24 50  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0EG1I
  -OEChem-10121500402D

 43 45  0     1  0  0  0  0  0999 V2000
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 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D0EJ6O
  -OEChem-10121500102D

 32 33  0     1  0  0  0  0  0999 V2000
    5.0981    4.0880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 16 26  1  0  0  0  0
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 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D0EK1D
  -OEChem-10101305032D

 46 48  0     1  0  0  0  0  0999 V2000
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   12.6762    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  1  0  0  0  0
M  END

$$$$
D0EL2O
  -OEChem-10101305022D

 37 37  0     0  0  0  0  0  0999 V2000
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    7.7467   -1.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 20  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END

$$$$
D0EN0G
  -OEChem-10101305032D

 33 31  0     0  0  0  0  0  0999 V2000
    1.4030    3.1962    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.4628    0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    4.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3288    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9628    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    2.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2046    4.8890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6589    5.5279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7046    6.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2046    4.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059    5.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1196    5.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7878    4.9214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.3862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    4.5992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8657    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2728    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END

$$$$
D0EP0C
  -OEChem-10111523592D

 61 65  0     1  0  0  0  0  0999 V2000
    3.7319   -0.3759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1536   -2.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5366   -3.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4213    4.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8486    1.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3682   -1.8728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5021   -1.3728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5021   -0.3728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1589   -2.8446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3682    0.1272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2342   -1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3842    1.1687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2342   -0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1702   -2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921    0.1340    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3530   -2.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9493   -3.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2464    0.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3529    2.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4778    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4174    3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252   -1.0281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693   -0.8035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1075    0.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462   -1.9554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8448   -1.2651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3997   -1.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2286   -2.3507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8448   -0.4805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462    0.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806   -3.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989   -3.5542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    0.4389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453   -2.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9635   -2.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16  1  1  6  0  0  0
  1 28  1  0  0  0  0
  9  2  1  1  0  0  0
  2 24  1  0  0  0  0
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 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  1  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
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 17 44  1  0  0  0  0
 18 23  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
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 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 25 27  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 28 29  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
M  END

$$$$
D0EP8X
  -OEChem-10121500272D

 15 14  0     0  0  0  0  0  0999 V2000
    6.8671    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END

$$$$
D0ES1Q
  -OEChem-10121500442D

160163  0     1  0  0  0  0  0999 V2000
    5.1177    2.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500    3.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5434   -4.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6916   -3.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2055   -2.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2526   -1.9739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0194   -1.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8113   -2.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1186    6.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4844    5.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6377   -4.2779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0EV6T
  -OEChem-04152108482D

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 10 31  1  0  0  0  0
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 11 37  2  0  0  0  0
 11 41  1  0  0  0  0
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 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 18  1  0  0  0  0
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 18 24  1  0  0  0  0
 18 49  1  0  0  0  0
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 19 22  1  6  0  0  0
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 20 25  1  0  0  0  0
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 20 53  1  0  0  0  0
 22 26  1  0  0  0  0
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 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
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 25 56  1  0  0  0  0
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 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
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 27 31  1  0  0  0  0
 27 63  1  0  0  0  0
 28 32  2  0  0  0  0
 28 64  1  0  0  0  0
 29 34  1  0  0  0  0
 29 65  1  0  0  0  0
 30 35  2  0  0  0  0
 30 66  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 67  1  0  0  0  0
 33 68  1  0  0  0  0
 34 36  2  0  0  0  0
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 35 70  1  0  0  0  0
 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 73  1  0  0  0  0
 39 40  1  0  0  0  0
 39 74  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 75  1  0  0  0  0
M  END

$$$$
D0EV8E
  -OEChem-10111523482D

 39 41  0     1  0  0  0  0  0999 V2000
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    6.3301   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6962    3.2888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
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  4  7  1  0  0  0  0
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  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
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 13 20  2  0  0  0  0
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 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
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 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D0F0EP
  SciTegic11301210262D

 25 27  0  0  0  0            999 V2000
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   -0.7458    0.4708    0.0000 C   0  0
   -3.2958    0.9583    0.0000 S   0  0
   -2.4333    0.4708    0.0000 C   0  0
    0.9167   -0.5042    0.0000 C   0  0
   -0.7458   -0.5042    0.0000 C   0  0
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   -1.5708    0.9583    0.0000 C   0  0
   -2.4333   -0.5042    0.0000 C   0  0
   -1.5708   -0.9917    0.0000 C   0  0
   -0.4500    1.7958    0.0000 O   0  0
    0.8042    1.6208    0.0000 O   0  0
    1.7792   -0.9917    0.0000 C   0  0
   -4.1583    1.4458    0.0000 O   0  0
   -3.7833    0.0958    0.0000 O   0  0
   -2.8083    1.8208    0.0000 N   0  0
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   -3.2958   -0.9917    0.0000 Cl  0  0
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    4.3375   -0.5042    0.0000 C   0  0
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  2  1  1  0
  3  1  1  0
  4  5  1  0
  5  9  2  0
  6  2  1  0
  7  3  2  0
  8  7  1  0
  9  3  1  0
 10  5  1  0
 11  7  1  0
 12  1  2  0
 13  1  2  0
 14  6  1  0
 15  4  2  0
 16  4  2  0
 17  4  1  0
 18 14  1  0
 19 10  1  0
 20 14  1  0
 21 18  1  0
 22 18  2  0
 23 21  2  0
 24 22  1  0
 25 24  2  0
 11 10  2  0
  6  8  1  0
 23 25  1  0
M  END

$$$$
D0F0YZ
  -OEChem-10191522532D

 34 34  0     1  0  0  0  0  0999 V2000
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    2.0000   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 15  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D0F0ZE
  -OEChem-10101305022D

 57 60  0     1  0  0  0  0  0999 V2000
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    2.8660    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    6.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    7.2888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    6.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    7.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4806   -5.4685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3036   -6.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0472   -5.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8092   -5.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
 11  2  1  1  0  0  0
  2 15  1  0  0  0  0
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  4 32  1  0  0  0  0
  5 30  1  0  0  0  0
  5 33  1  0  0  0  0
  6 29  2  0  0  0  0
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  8 19  1  0  0  0  0
  8 29  1  0  0  0  0
  8 48  1  0  0  0  0
  9 23  1  0  0  0  0
  9 29  1  0  0  0  0
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 10 31  1  0  0  0  0
 10 33  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  2  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 30 31  2  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END

$$$$
D0F0ZY
  -OEChem-10101305022D

 56 58  0     0  0  0  0  0  0999 V2000
    6.5395    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.1183    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    3.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    4.9843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4591    5.1183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    4.1183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8755    4.3135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.1183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.1183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    4.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8755    5.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    4.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    4.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1861    6.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4591    5.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1350    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4651    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    3.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6602    5.9283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7754    6.6809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4591    5.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  1  0  0  0  0
  5  7  1  0  0  0  0
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  5 22  1  0  0  0  0
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  8 24  1  0  0  0  0
  8 29  1  0  0  0  0
  8 48  1  0  0  0  0
  9 20  2  0  0  0  0
  9 29  1  0  0  0  0
 10 29  2  0  0  0  0
 10 32  1  0  0  0  0
 11 54  1  0  0  0  0
 11 55  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 30  1  0  0  0  0
 21 23  2  0  0  0  0
 21 26  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 27  1  0  0  0  0
 23 31  1  0  0  0  0
 24 26  2  0  0  0  0
 24 28  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 30 32  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D0F1DY
  -OEChem-04152111322D

456461  0     1  0  0  0  0  0999 V2000
   15.6658   11.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3978   14.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9337   14.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3933    4.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1299   11.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6613    7.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017   11.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9292    4.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1972    7.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4696   14.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3312    9.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017   -2.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4651    4.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0632    9.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9337    0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4696    0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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217432  1  0  0  0  0
218220  1  0  0  0  0
218433  1  0  0  0  0
219435  1  0  0  0  0
219436  1  0  0  0  0
220437  1  0  0  0  0
221222  1  0  0  0  0
221223  1  0  0  0  0
221439  1  0  0  0  0
223224  1  0  0  0  0
223440  1  0  0  0  0
223441  1  0  0  0  0
224226  1  0  0  0  0
224443  1  0  0  0  0
224444  1  0  0  0  0
225227  1  0  0  0  0
227445  1  0  0  0  0
227446  1  0  0  0  0
228229  1  0  0  0  0
228230  1  0  0  0  0
228448  1  0  0  0  0
230231  1  0  0  0  0
230450  1  0  0  0  0
230451  1  0  0  0  0
231232  2  0  0  0  0
232454  1  0  0  0  0
233456  1  0  0  0  0
M  END

$$$$
D0F1EX
  -OEChem-10101305032D

 57 60  0     1  0  0  0  0  0999 V2000
    7.4149   -3.0268    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0319    1.2610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    0.4874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8566    2.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.0046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.9954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -1.4954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.9954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    0.3094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393   -1.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229   -0.4954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610    0.0046    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7510   -1.5022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5431   -2.5369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931    1.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -3.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1493    0.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9229   -0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -3.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    1.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.8406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -0.5704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.6093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    0.9796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    0.9796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2046   -1.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.6246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5491   -3.1568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    1.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.6246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -3.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -3.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9229   -1.1154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5429   -0.4954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9229    0.1246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    0.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -0.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4476    1.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361   -0.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.1246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -3.7135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4502    1.7206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -1.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7928    3.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  6  0  0  0
 11  2  1  6  0  0  0
  2 50  1  0  0  0  0
 15  3  1  1  0  0  0
  3 52  1  0  0  0  0
  4 21  2  0  0  0  0
  5 26  1  0  0  0  0
  5 57  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  6  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 30  1  1  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  6  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 22  1  6  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 23  1  1  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 27  2  0  0  0  0
 24 51  1  0  0  0  0
 25 28  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D0F1GS
  -OEChem-04152122242D

 15 12  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D0F1LZ
  -OEChem-04152122232D

  8  7  0     0  0  0  0  0  0999 V2000
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END

$$$$
D0F1UL
  -OEChem-10111523592D

 51 54  0     1  0  0  0  0  0999 V2000
    7.9821    2.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.5493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.4507    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.9507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.4507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.8540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -0.9575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9229    0.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -1.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500    1.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587    0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285    2.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -0.0257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    1.2934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.5243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    1.5243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.3223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    1.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.3654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.4640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    1.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.1693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0836   -2.2960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324    0.0732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    0.0886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787    0.0377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    0.6624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6475   -3.1399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -0.3361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -1.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -3.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7563    1.4041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2351    2.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5006    2.6174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  1  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  6  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  1  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  1  0  0  0
  7 12  1  0  0  0  0
  7 17  1  1  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  6  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 19  2  0  0  0  0
 14 39  1  0  0  0  0
 15 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 20  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 23  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 22  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
M  END

$$$$
D0F2AK
  -OEChem-10111523592D

 54 57  0     1  0  0  0  0  0999 V2000
    9.0465    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.6062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  3  9  1  0  0  0  0
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  4  7  1  0  0  0  0
  4 25  1  6  0  0  0
  5  8  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 12 37  1  0  0  0  0
 13 17  1  0  0  0  0
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 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
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 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 21  2  0  0  0  0
 19 23  1  0  0  0  0
 19 45  1  0  0  0  0
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 20 22  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 49  1  0  0  0  0
 22 24  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END

$$$$
D0F2PO
  -OEChem-04152109092D

 38 39  0     1  0  0  0  0  0999 V2000
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    5.4641    1.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.3577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9470    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.8660    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2 34  1  0  0  0  0
  3  6  1  0  0  0  0
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  4 13  1  0  0  0  0
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  5 19  1  0  0  0  0
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 10 15  2  0  0  0  0
 11 26  1  0  0  0  0
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 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D0F2QS
          03091000062D 1   1.00000     0.00000     0

 11  8  0     0  0            999 V2000
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   -1.7517   -2.2414    0.0000 Na  0  3  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  2  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
  6  8  1  0     0  0
  6  9  2  0     0  0
M  CHG  4   3  -1   7  -1  10   1  11   1
M  END

$$$$
D0F2WP
  -OEChem-10121500392D

 71 75  0     0  0  0  0  0  0999 V2000
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 40 41  1  0  0  0  0
 40 63  1  0  0  0  0
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 43 68  1  0  0  0  0
 44 69  1  0  0  0  0
 44 70  1  0  0  0  0
 44 71  1  0  0  0  0
M  END

$$$$
D0F2XQ
  -OEChem-10121500282D

 32 34  0     1  0  0  0  0  0999 V2000
    2.0000   -0.6734    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6183    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    0.3892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 11  3  1  6  0  0  0
  3 27  1  0  0  0  0
 13  4  1  1  0  0  0
  4 28  1  0  0  0  0
  5 15  1  0  0  0  0
  5 30  1  0  0  0  0
 12  6  1  6  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
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  8 16  1  0  0  0  0
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  9 19  2  0  0  0  0
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 10 19  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
M  END

$$$$
D0F2XV
  -OEChem-10101305032D

 45 46  0     1  0  0  0  0  0999 V2000
   10.2124    3.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    1.8257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0860    0.7994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555    3.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815    2.4671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5432    3.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5161    2.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1399   -0.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -3.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5068   -2.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4692    2.5412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4608    0.5656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.9805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318   -0.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
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  2 28  1  0  0  0  0
  3 18  2  0  0  0  0
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 10 27  2  0  0  0  0
 11 16  1  0  0  0  0
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 17 12  1  1  0  0  0
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 12 34  1  0  0  0  0
 13 21  2  0  0  0  0
 14 23  1  0  0  0  0
 14 28  2  0  0  0  0
 15 28  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  6  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  2  0  0  0  0
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 24 40  1  0  0  0  0
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 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D0F3IP
  -OEChem-10101305022D

 97100  0     0  0  0  0  0  0999 V2000
    9.2536    0.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9972    3.9408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334   13.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9315   15.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4674   12.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 49 94  1  0  0  0  0
 49 95  1  0  0  0  0
 49 96  1  0  0  0  0
M  END

$$$$
D0F3SY
  -OEChem-04152109022D

 23 24  0     1  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
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 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
M  END

$$$$
D0F3SZ
  -OEChem-04152109562D

927936  0     1  0  0  0  0  0999 V2000
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   18.0733  -15.9579    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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472896  1  0  0  0  0
472897  1  0  0  0  0
473901  1  0  0  0  0
473902  1  0  0  0  0
473903  1  0  0  0  0
474482  1  0  0  0  0
474904  1  0  0  0  0
474905  1  0  0  0  0
475906  1  0  0  0  0
475907  1  0  0  0  0
475908  1  0  0  0  0
476480  1  0  0  0  0
476483  1  6  0  0  0
476909  1  0  0  0  0
478484  1  0  0  0  0
478911  1  0  0  0  0
479485  2  0  0  0  0
479912  1  0  0  0  0
482487  1  0  0  0  0
482914  1  0  0  0  0
482915  1  0  0  0  0
483920  1  0  0  0  0
483921  1  0  0  0  0
484486  2  0  0  0  0
484922  1  0  0  0  0
485486  1  0  0  0  0
485923  1  0  0  0  0
M  END

$$$$
D0F4CG
  -OEChem-04152111272D

 30 33  0     0  0  0  0  0  0999 V2000
   10.9641    0.5743    0.0000 F  -1  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.8518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.2631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814   -0.5896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040   -0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3148    1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9208    1.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5147   -1.3917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5041    1.6936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  2  0  0  0  0
  3 16  1  0  0  0  0
  4 18  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
M  ISO  1   1  18
M  END

$$$$
D0F4HB
  -OEChem-04152110522D

420418  0     1  0  0  0  0  0999 V2000
   10.9825   23.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9152   16.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1832   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7146   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6473   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511   16.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4466   23.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7191   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1787    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6473   28.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4466    9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1787   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7146    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9152   30.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9825    9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1832   28.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511   30.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7191    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8530   29.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7191   28.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   17.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   15.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9152   15.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9825   22.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2505   22.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6473   15.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1832   15.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7146   22.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5184   22.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3793   15.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4511   15.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4466   22.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3793   29.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7146    8.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4466    8.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6473   29.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9825    8.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9152   29.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2505    8.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1832   29.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5184    8.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4511   29.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1210   16.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7768   23.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7768    9.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4511    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8530   33.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1210    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1165   22.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0492   15.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8485   22.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7812   15.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3844   22.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3171   15.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5806   22.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.5133   15.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1165   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0492   16.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8485   23.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7812   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5851   15.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3844   23.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3171   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5133   29.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5806   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5133   16.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5806    8.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3127   22.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3127    8.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7812   29.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9825   20.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1832   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8485    8.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7146   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9152   13.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5184   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511   13.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5133   30.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5806    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4466   20.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3793   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9825   22.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9152   15.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5851   16.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7812   28.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1832   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8485    9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7146   22.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505   22.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6473   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511   15.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3127   23.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3127    9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0492   29.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.3793   31.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4466    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1165    8.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4466   22.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7191   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9152   27.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7146   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1787    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0492   30.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6473   29.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1165    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4466    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1787   22.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7146    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7191   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9152   29.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1787   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1787   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1832   31.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9825    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9825   19.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8485   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3171   16.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3171   29.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.5184   25.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6524   23.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511   12.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5851   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1832   29.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4466   19.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3127   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3793   18.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2453   16.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3171   28.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3844    9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0447   23.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0447    9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3793   32.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2453   30.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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177419  1  0  0  0  0
M  END

$$$$
D0F4NS
  -OEChem-10111523422D

 61 64  0     1  0  0  0  0  0999 V2000
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 31 32  2  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END

$$$$
D0F4ZY
  -OEChem-10101305032D

 52 54  0     0  0  0  0  0  0999 V2000
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    2.8660   -0.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END

$$$$
D0F5DO
  -OEChem-04152108512D

 26 25  0     1  0  0  0  0  0999 V2000
    6.8671    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END

$$$$
D0F5MT
  -OEChem-10101305022D

 75 77  0     1  0  0  0  0  0999 V2000
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 38 71  1  0  0  0  0
M  END

$$$$
D0F5OR
  -OEChem-10101305032D

133136  0     1  0  0  0  0  0999 V2000
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 59133  1  0  0  0  0
M  END

$$$$
D0F5ZM
          01210517102D 1   1.00000     0.00000     0

 15 15  0     0  0            999 V2000
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  2  1  1  0     0  0
  4  5  1  0     0  0
  5  3  2  0     0  0
  6  1  2  0     0  0
  7  3  1  0     0  0
  8  7  2  0     0  0
  9  2  2  0     0  0
 10  2  1  0     0  0
 11  6  1  0     0  0
 12  1  1  0     0  0
 13  6  1  0     0  0
 14 12  2  0     0  0
 15 13  2  0     0  0
 14 15  1  0     0  0
  4  8  1  0     0  0
M  END

$$$$
D0F6EO
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
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   10.2803   -2.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2282    0.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6404   -0.7971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 13  8  1  1  0  0  0
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 19  9  1  1  0  0  0
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 10 13  1  0  0  0  0
 10 26  1  6  0  0  0
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 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D0F6GV
  -OEChem-10121501412D

 60 64  0     1  0  0  0  0  0999 V2000
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 30 60  1  0  0  0  0
M  END

$$$$
D0F7CS
  -OEChem-10101305032D

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M  END

$$$$
D0F7NQ
  -OEChem-10121501072D

 71 74  0     1  0  0  0  0  0999 V2000
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    9.9229   -0.2770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0005   -0.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2087   -0.3774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8320   -1.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4476    1.3193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3430   -1.5516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    3.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4796    4.8299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138    4.9685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6480    2.4827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5137    2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6524    3.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0103    4.7449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 21  2  1  6  0  0  0
 13  3  1  6  0  0  0
  3 56  1  0  0  0  0
 17  4  1  1  0  0  0
  4 58  1  0  0  0  0
  5 23  2  0  0  0  0
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  6 31  1  0  0  0  0
  7 30  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 20  1  1  0  0  0
 10 11  1  0  0  0  0
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 10 36  1  6  0  0  0
 11 12  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 24  1  6  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 22  1  0  0  0  0
 18 25  1  1  0  0  0
 18 26  1  0  0  0  0
 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
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 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 29  2  0  0  0  0
 26 57  1  0  0  0  0
 27 30  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 63  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
 35 69  1  0  0  0  0
M  END

$$$$
D0F7NZ
  -OEChem-04152122242D

 11  9  0     0  0  0  0  0  0999 V2000
    0.9030    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
M  END

$$$$
D0F8CM
  -OEChem-10101305022D

 53 54  0     1  0  0  0  0  0999 V2000
   10.3312    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5632    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5632   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885   -1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871   -2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  1 18  2  0  0  0  0
  1 19  2  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  3 22  2  0  0  0  0
  3 23  2  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  4 24  2  0  0  0  0
  4 25  2  0  0  0  0
 26  5  1  1  0  0  0
 29  5  1  6  0  0  0
  6 29  1  0  0  0  0
  6 35  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
 27  8  1  6  0  0  0
 28  9  1  1  0  0  0
 30 10  1  6  0  0  0
 31 11  1  1  0  0  0
 32 12  1  1  0  0  0
 12 48  1  0  0  0  0
 34 13  1  6  0  0  0
 13 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 26 36  1  0  0  0  0
 27 31  1  0  0  0  0
 27 37  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 38  1  0  0  0  0
 29 39  1  0  0  0  0
 30 32  1  0  0  0  0
 30 40  1  0  0  0  0
 31 34  1  0  0  0  0
 31 41  1  0  0  0  0
 32 35  1  0  0  0  0
 32 42  1  0  0  0  0
 33 43  1  0  0  0  0
 33 44  1  0  0  0  0
 34 45  1  0  0  0  0
 35 46  1  0  0  0  0
 35 47  1  0  0  0  0
M  END

$$$$
D0F8RA
  -OEChem-10121500192D

 21 22  0     0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D0F9BY
  -OEChem-10101305022D

155161  0     1  0  0  0  0  0999 V2000
    2.4141   -5.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1944   -4.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9048   -3.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2570   -1.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8889   -7.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6310   -2.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155   -5.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3562   -4.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6487   -1.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1111   -6.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3416   -6.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1330   -3.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9204   -7.5299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2521   -2.7179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148   -3.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7148  -10.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1623    7.4381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1146   -2.4591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6061   -5.3568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0F9GE
  -OEChem-10121500292D

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    9.5331   -0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3933   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1292   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2574   -2.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0849    2.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0759    3.4267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2656   -4.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6655   -0.0713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8684   -0.0682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1790   -2.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7289   -1.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5259   -1.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4717   -1.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.4577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5329   -0.8635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7893   -3.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 36  1  0  0  0  0
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  2 75  1  0  0  0  0
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  5 23  1  0  0  0  0
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  8 24  2  0  0  0  0
  8 28  1  0  0  0  0
  9 25  1  0  0  0  0
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 10 26  1  0  0  0  0
 10 27  2  0  0  0  0
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 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 18  1  0  0  0  0
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 14 40  1  0  0  0  0
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 16 20  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 22  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 22  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 21  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 29 33  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 34  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 35  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 36  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
M  END

$$$$
D0FA2O
  SciTegic01161211232D

 17 19  0  0  0  0            999 V2000
   14.3849   -6.4335    0.0000 C   0  0
   13.9211   -7.1222    0.0000 C   0  0
   14.4335   -7.7731    0.0000 O   0  0
   15.1805   -6.6594    0.0000 C   0  0
   15.2109   -7.4838    0.0000 C   0  0
   15.9389   -7.8680    0.0000 C   0  0
   15.8740   -6.2209    0.0000 C   0  0
   16.6024   -6.6013    0.0000 C   0  0
   16.6344   -7.4330    0.0000 C   0  0
   17.3666   -7.8189    0.0000 O   0  0
   18.0716   -7.3777    0.0000 C   0  0
   18.0396   -6.5460    0.0000 C   0  0
   17.3027   -6.1555    0.0000 C   0  0
   18.8003   -7.7631    0.0000 O   0  0
   17.2698   -5.3318    0.0000 C   0  0
   13.0971   -7.1526    0.0000 C   0  0
   15.9692   -8.6918    0.0000 C   0  0
  8  9  1  0
  4  1  1  0
  2  3  1  0
  4  5  2  0
  1  2  2  0
  5  6  1  0
  8 13  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
  6  9  2  0
 11 14  2  0
  3  5  1  0
 13 15  1  0
  8  7  2  0
  2 16  1  0
  7  4  1  0
  6 17  1  0
M  END

$$$$
D0FC1J
          08070800062D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
   -2.0759    2.6414    0.0000 S   0  0  3  0  0  0           0  0  0
   -1.1586    2.1034    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0276    2.0414    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3345    3.4690    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.7690    3.4690    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1586    1.0552    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.9828    0.9724    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0517    0.5069    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.2103    0.4966    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0517   -0.4069    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.1103   -0.6517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5103   -1.4517    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5517   -1.2966    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7379   -2.4862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9897   -2.2345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2207   -3.0138    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0690   -2.3931    0.0000 N   0  3  0  0  0  0           0  0  0
    2.4759   -3.4000    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7414   -1.5345    0.0000 O   0  5  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  1  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  6  8  1  0     0  0
  6  9  1  0     0  0
  8 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
 13 15  1  0     0  0
 14 16  1  0     0  0
 15 17  1  0     0  0
 17 18  2  0     0  0
 17 19  1  0     0  0
  7  8  1  0     0  0
 15 16  2  0     0  0
M  CHG  2  17   1  19  -1
M  END

$$$$
D0FD0H
  -OEChem-10191522522D

 22 21  0     0  0  0  0  0  0999 V2000
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1316    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END

$$$$
D0FD6E
  -OEChem-10101305032D

 61 63  0     1  0  0  0  0  0999 V2000
   10.6404   -1.4704    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9754   -3.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2803   -4.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9276   -4.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7482   -2.2889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6409    3.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9688    4.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2282   -2.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6404   -3.0884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.0372   -1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2020   -3.5268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1080   -2.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5388   -1.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6728   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6728   -3.3688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 18  2  0  0  0  0
  3 21  1  0  0  0  0
  3 46  1  0  0  0  0
  4 21  2  0  0  0  0
  5 22  2  0  0  0  0
  6 25  2  0  0  0  0
  7 32  1  0  0  0  0
  7 57  1  0  0  0  0
  8 33  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
 17 10  1  1  0  0  0
 10 22  1  0  0  0  0
 10 44  1  0  0  0  0
 23 11  1  1  0  0  0
 11 25  1  0  0  0  0
 11 47  1  0  0  0  0
 28 12  1  1  0  0  0
 12 55  1  0  0  0  0
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 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 58  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  6  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  6  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
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 20 41  1  0  0  0  0
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 20 43  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
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 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 48  1  0  0  0  0
 27 30  2  0  0  0  0
 27 49  1  0  0  0  0
 28 31  1  0  0  0  0
 28 50  1  0  0  0  0
 29 32  2  0  0  0  0
 29 51  1  0  0  0  0
 30 32  1  0  0  0  0
 30 52  1  0  0  0  0
 31 33  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END

$$$$
D0FG6M
  -OEChem-04152109322D

 65 66  0     1  0  0  0  0  0999 V2000
   12.9292    6.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    4.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    7.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    8.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6550   -0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565   -1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -4.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3871    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -5.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5432    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -7.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -7.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092    4.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078    5.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -8.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    8.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    8.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    9.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 16  1  0  0  0  0
  3 21  1  0  0  0  0
  4 15  1  0  0  0  0
  4 53  1  0  0  0  0
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  7 25  1  0  0  0  0
  7 62  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 16  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 19 22  2  0  0  0  0
 19 50  1  0  0  0  0
 20 23  2  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 63  1  0  0  0  0
 31 32  1  0  0  0  0
 31 64  1  0  0  0  0
 32 65  1  0  0  0  0
M  END

$$$$
D0FH7C
  -OEChem-04152110062D

 15 11  0     1  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 Au  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  6   1   1   2  -1   3   1   4   1   5  -1   7  -1
M  END

$$$$
D0FJ8A
  -OEChem-04152122252D

 96 94  0     0  0  0  0  0  0999 V2000
   13.5273    1.0369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    6.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3215    4.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    4.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8574    4.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2690    4.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4555    6.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3933    1.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0273    1.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0273    0.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9914    5.7130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.5177    5.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6613    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1254    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0536    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9196    5.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1876    5.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7856    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    5.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7235    5.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0FL5V
  -OEChem-04152109382D

 56 59  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0FM2P
  -OEChem-04152108502D

 62 66  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0FN7J
  -OEChem-10121500592D

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M  END

$$$$
D0FR6I
  -OEChem-04152110472D

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 92178  1  0  0  0  0
 93179  1  0  0  0  0
 93180  1  0  0  0  0
 93181  1  0  0  0  0
M  CHG  4   1   3  12  -1  17  -1  69  -1
M  END

$$$$
D0FR9L
  -OEChem-04152109122D

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 52 54  1  0  0  0  0
 52 93  1  0  0  0  0
 53 95  1  0  0  0  0
 53 96  1  0  0  0  0
M  CHG  1   1   2
M  END

$$$$
D0FT7Y
  SciTegic01311417522D

  1  0  0  0  0  0            999 V2000
    4.3042   -4.7875    0.0000 N   0  0
M  END

$$$$
D0FV3V
  -OEChem-04152108422D

 51 53  0     1  0  0  0  0  0999 V2000
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  2 41  1  0  0  0  0
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 16 42  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D0FW2A
  -OEChem-10101305032D

143149  0     1  0  0  0  0  0999 V2000
    3.0182    3.4842    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0FX2Q
  -OEChem-10191523012D

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   12.4315    3.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15  2  1  1  0  0  0
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 40 47  1  0  0  0  0
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 41 44  2  0  0  0  0
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 46 48  2  0  0  0  0
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 50 92  1  0  0  0  0
 50 93  1  0  0  0  0
 50 94  1  0  0  0  0
M  END

$$$$
D0G1OZ
  -OEChem-10121501192D

 29 29  0     0  0  0  0  0  0999 V2000
    4.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 12  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END

$$$$
D0G1VX
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
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  7 10  2  0  0  0  0
  7 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
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 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D0G1WL
  -OEChem-10101305032D

 56 58  0     1  0  0  0  0  0999 V2000
    5.5149    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    8.3312    2.5153    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.0153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1972    8.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7331    7.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911    8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911    6.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1350    6.5153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9972    8.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9972    6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    5.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    4.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    3.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    7.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741    9.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6242    9.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0165    8.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4915    7.9047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3301    6.2053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0840    9.1699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0840    5.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    7.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    7.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    6.2053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5329    8.3482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5329    6.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3301    5.2053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.2053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 31  1  0  0  0  0
 21  3  1  1  0  0  0
  3 54  1  0  0  0  0
 23  4  1  1  0  0  0
  4 55  1  0  0  0  0
  5 32  1  0  0  0  0
  5 56  1  0  0  0  0
  6 32  2  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 18  2  0  0  0  0
 16 38  1  0  0  0  0
 17 26  2  0  0  0  0
 17 27  1  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 19 24  1  0  0  0  0
 19 41  1  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 28  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 29  1  0  0  0  0
 26 48  1  0  0  0  0
 27 30  2  0  0  0  0
 27 49  1  0  0  0  0
 28 32  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 31  2  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
M  CHG  1   1   2
M  END

$$$$
D0G2KD
  -OEChem-04152108422D

 51 51  0     1  0  0  0  0  0999 V2000
    2.0000   -4.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 19  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 17 20  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  2  0  0  0  0
 18 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  END

$$$$
D0G2MH
  -OEChem-04152122302D

 22 21  0     0  0  0  0  0  0999 V2000
    2.0000   -1.2500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  3  8  2  0  0  0  0
  4 15  1  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END

$$$$
D0G2MW
  -OEChem-04152109372D

 52 51  0     0  0  0  0  0  0999 V2000
    2.8660   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0G3AQ
  -OEChem-10121501232D

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M  END

$$$$
D0G3DL
  -OEChem-04152109252D

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   12.1937    2.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6886    4.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 19  1  1  1  0  0  0
  1 31  1  0  0  0  0
 18  2  1  6  0  0  0
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 22  3  1  6  0  0  0
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 24  4  1  6  0  0  0
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 51101  1  0  0  0  0
 51102  1  0  0  0  0
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 53 55  1  0  0  0  0
 53 98  1  0  0  0  0
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 54103  1  0  0  0  0
 54104  1  0  0  0  0
 55105  1  0  0  0  0
 55106  1  0  0  0  0
 57108  1  0  0  0  0
 58109  1  0  0  0  0
 58110  1  0  0  0  0
 58111  1  0  0  0  0
 59113  1  0  0  0  0
 59114  1  0  0  0  0
 59115  1  0  0  0  0
M  END

$$$$
D0G3PI
  -OEChem-10111523522D

 50 50  0     0  0  0  0  0  0999 V2000
   10.7942    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    0.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -0.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5762    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3312    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 50  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
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 10 30  1  0  0  0  0
 10 33  1  0  0  0  0
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 11 13  2  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
M  END

$$$$
D0G3SH
  -OEChem-10121501102D

 68 71  0     1  0  0  0  0  0999 V2000
    7.9506   -3.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -3.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7640    3.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3707    3.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  1  0  0  0
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 24  2  1  6  0  0  0
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  9 22  1  1  0  0  0
 10 16  1  0  0  0  0
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 13 36  1  0  0  0  0
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 15 39  1  0  0  0  0
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 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 23  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
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 20 25  1  0  0  0  0
 20 26  1  6  0  0  0
 20 50  1  0  0  0  0
 21 24  1  0  0  0  0
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 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 27  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 28  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
M  END

$$$$
D0G4BI
          07140901052D 1   1.00000     0.00000     0

 25 27  0     1  0            999 V2000
   -0.1552   -0.1586    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.1586   -0.9793    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6655   -0.1517    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.9793   -0.1621    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1552    0.6655    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8724   -1.3931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5586   -1.3931    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0793    0.5552    0.0000 N   0  0  3  0  0  0           0  0  0
    1.0793   -0.8724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3931    0.5552    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.8724   -2.2241    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5931   -0.9724    0.0000 F   0  0  0  0  0  0           0  0  0
    0.5586   -2.2241    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9069    0.5552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6655    1.2724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1379    1.3345    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2207    0.5517    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.1586   -2.6345    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3207    1.2724    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0793    1.9897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8103    1.8207    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.4759    1.3379    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1586   -3.4586    0.0000 F   0  0  0  0  0  0           0  0  0
    1.9069    1.9897    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3241    2.7172    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  6     0  0
  2  6  1  0     0  0
  2  7  2  0     0  0
  3  8  1  6     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  6 11  2  0     0  0
  6 12  1  0     0  0
  7 13  1  0     0  0
  8 14  1  0     0  0
  8 15  1  0     0  0
 10 16  1  0     0  0
 10 17  1  0     0  0
 11 18  1  0     0  0
 14 19  1  0     0  0
 15 20  1  0     0  0
 16 21  2  0     0  0
 17 22  2  0     0  0
 18 23  1  0     0  0
 19 24  1  0     0  0
 24 25  2  0     0  0
 13 18  2  0     0  0
 20 24  1  0     0  0
 21 22  1  0     0  0
M  END

$$$$
D0G4JI
  -OEChem-10121500292D

 10  9  0     0  0  0  0  0  0999 V2000
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END

$$$$
D0G4KG
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    3.7702   -1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    2.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8641   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9260    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7062   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 21  1  0  0  0  0
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 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D0G4OD
  -OEChem-04152109142D

 81 84  0     1  0  0  0  0  0999 V2000
    6.0678    1.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4037   -0.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5194    2.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2107   -0.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1854   -1.9377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5194   -1.9808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3389    1.1427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9389    0.6527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2996    2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 34  1  0  0  0  0
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 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
 42 81  1  0  0  0  0
M  END

$$$$
D0G4YT
  MDL     03120710462D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
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    3.3042   -2.4792    0.0000 N   0  0  0  0  0  0           0  0  0
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    2.6875   -2.8375    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6000   -2.8375    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
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  4  3  1  0     0  0
  5  1  1  0     0  0
  6  1  2  0     0  0
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  8 10  2  0     0  0
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 10  9  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13  9  2  0     0  0
 14  2  1  0     0  0
 15  3  2  0     0  0
 16  7  1  0     0  0
 17 15  1  0     0  0
 18 17  2  0     0  0
 19  8  1  0     0  0
 20 11  1  0     0  0
 21 16  1  0     0  0
 22 19  1  0     0  0
 23 20  1  0     0  0
  8 11  1  0     0  0
  7 18  1  0     0  0
 22 23  1  0     0  0
M  END

$$$$
D0G5AG
  -OEChem-10101305022D

 31 32  0     1  0  0  0  0  0999 V2000
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  1 12  1  0  0  0  0
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 10  2  1  1  0  0  0
  2 25  1  0  0  0  0
 11  3  1  1  0  0  0
  3 26  1  0  0  0  0
  4 14  1  0  0  0  0
  4 28  1  0  0  0  0
  5 15  1  0  0  0  0
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 12  7  1  6  0  0  0
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  8 16  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  6  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
M  END

$$$$
D0G5BK
          03290600082D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
    4.3542   -1.9250    0.0000 C   0  0  3  0  0  0           0  0  0
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    3.1042   -1.9125    0.0000 F   0  0  0  0  0  0           0  0  0
    3.3500   -2.8542    0.0000 F   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
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  5  1  1  0     0  0
  6  3  1  0     0  0
  7  3  1  0     0  0
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  9  2  1  0     0  0
 10  2  1  0     0  0
 11  2  1  0     0  0
M  END

$$$$
D0G5CF
  -OEChem-10111523562D

 74 76  0     1  0  0  0  0  0999 V2000
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 29 67  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
M  END

$$$$
D0G5QB
  -OEChem-10121501102D

 62 64  0     0  0  0  0  0  0999 V2000
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 25 28  2  0  0  0  0
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 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
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 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END

$$$$
D0G5UB
  -OEChem-10121501102D

 36 38  0     0  0  0  0  0  0999 V2000
    6.3981   -1.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243    1.6781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7961    0.1815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 26  1  0  0  0  0
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 17 32  1  0  0  0  0
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 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END

$$$$
D0G6AB
  -OEChem-10101305032D

 46 48  0     1  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
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 15  3  1  1  0  0  0
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 17  4  1  1  0  0  0
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 16 22  1  1  0  0  0
 16 33  1  0  0  0  0
 17 21  1  0  0  0  0
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 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
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 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D0G6QF
  -OEChem-10121500422D

 54 57  0     0  0  0  0  0  0999 V2000
   12.3853   -4.0373    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    9.7932   -3.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6765   -2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6534   -4.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5251   -3.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3979    0.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
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 10 13  1  0  0  0  0
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 14 40  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 46  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 52  1  0  0  0  0
 28 30  2  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D0G6SD
  -OEChem-10101305032D

 60 63  0     0  0  0  0  0  0999 V2000
    2.8660    1.8341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600    3.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3600   -0.2640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8600   -1.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3600   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3600   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3349    0.2035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3349    1.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1 32  1  0  0  0  0
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 10 57  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 39  1  0  0  0  0
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 23 28  2  0  0  0  0
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 25 29  2  0  0  0  0
 25 47  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END

$$$$
D0G6SE
  -OEChem-10111523492D

146149  0     1  0  0  0  0  0999 V2000
   10.3965    3.9057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0G6VL
  -OEChem-10111523392D

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    8.9282    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    3.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    2.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8723    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4482    2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497    1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  2  0  0  0  0
  4 26  1  0  0  0  0
  4 31  1  0  0  0  0
  5 30  1  0  0  0  0
  5 62  1  0  0  0  0
  6 30  2  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 19  2  0  0  0  0
 15 24  2  0  0  0  0
 15 25  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  1  0  0  0  0
 19 48  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 27  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 26  1  0  0  0  0
 24 53  1  0  0  0  0
 25 28  2  0  0  0  0
 25 54  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END

$$$$
D0G6WW
  -OEChem-04152111332D

 56 57  0     1  0  0  0  0  0999 V2000
    4.4487    1.3628    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4157   -2.2425    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.4122   -3.9828    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.1372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9190   -0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6267    2.0755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9175   -1.3755    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9211    0.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4229    1.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4122   -3.9807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9128    1.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9211    0.3566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.4560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.8573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.3628    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9211    0.3586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9211    1.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4193   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0520   -1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4193   -0.5125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.9175   -1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9211    0.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9175   -1.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4157   -2.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4157   -2.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140   -3.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9140   -3.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5702    0.4704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687   -0.2198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    2.3377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7431   -0.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5144   -1.4485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1104    0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.9828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2286   -0.8453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7957   -2.2433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0357   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6029   -3.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2322    0.8867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    0.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323   -0.1286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677    0.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 32  1  0  0  0  0
  4 19  1  0  0  0  0
  4 24  1  0  0  0  0
  5 20  1  0  0  0  0
  5 28  1  0  0  0  0
  6 21  2  0  0  0  0
  7 26  1  0  0  0  0
  7 48  1  0  0  0  0
  8 26  2  0  0  0  0
  9 27  1  0  0  0  0
 10 31  1  0  0  0  0
 10 53  1  0  0  0  0
 11 31  2  0  0  0  0
 12 37  1  0  0  0  0
 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  2  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  2  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 27 29  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 47  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 49  1  0  0  0  0
 34 36  2  0  0  0  0
 34 50  1  0  0  0  0
 35 37  2  0  0  0  0
 35 51  1  0  0  0  0
 36 37  1  0  0  0  0
 36 52  1  0  0  0  0
 38 54  1  0  0  0  0
 38 55  1  0  0  0  0
 38 56  1  0  0  0  0
M  CHG  4   2   1   3   1   9  -1  12  -1
M  END

$$$$
D0G7DJ
  -OEChem-10111523522D

 48 48  0     1  0  0  0  0  0999 V2000
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1215    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7287    0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 36  1  0  0  0  0
  4  6  1  0  0  0  0
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  5 23  1  0  0  0  0
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  7 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
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 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 40  1  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
M  END

$$$$
D0G7FJ
  -OEChem-10121501192D

 36 38  0     1  0  0  0  0  0999 V2000
    6.1808   -2.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.1195    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808   -3.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1808    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487    0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.7183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9407   -2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468   -1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933    3.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336   -3.0296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1387   -1.8380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -2.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -2.9119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    0.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3825   -2.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6597    3.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8411    3.8074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5269    2.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
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  5 32  1  0  0  0  0
  6 17  2  0  0  0  0
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  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 31  1  0  0  0  0
  9 20  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
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 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END

$$$$
D0G7IY
  -OEChem-04152109592D

 50 51  0     0  0  0  0  0  0999 V2000
    3.0461    6.5624    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.5697   -5.5624    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.6600    0.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3572   -2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3804   -0.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9767    3.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056   -5.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    2.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056   -2.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0230    5.5627    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.7037   -5.0624    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7546    5.5226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8377   -6.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5086   -1.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6484   -0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4970   -2.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998    1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3457   -3.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8078    2.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396   -4.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536    2.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396   -5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898    0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4396   -4.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3457   -5.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5 14  1  0  0  0  0
  5 48  1  0  0  0  0
  6 21  1  0  0  0  0
  6 33  1  0  0  0  0
  7 22  1  0  0  0  0
  7 34  1  0  0  0  0
  8 25  2  0  0  0  0
  9 26  2  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 35  2  0  0  0  0
 13 36  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 23  2  0  0  0  0
 18 20  1  0  0  0  0
 18 24  2  0  0  0  0
 19 21  2  0  0  0  0
 19 25  1  0  0  0  0
 20 22  2  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 42  1  0  0  0  0
 24 30  1  0  0  0  0
 24 43  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 29  2  0  0  0  0
 27 44  1  0  0  0  0
 28 30  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 33  2  0  0  0  0
 31 49  1  0  0  0  0
 32 34  2  0  0  0  0
 32 50  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  CHG  4   1   1   2   1  10  -1  11  -1
M  END

$$$$
D0G7KJ
  -OEChem-04152108492D

 57 60  0     1  0  0  0  0  0999 V2000
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   10.0622    0.9730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6610    1.1102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
M  END

$$$$
D0G7SR
  -OEChem-04152109382D

 72 75  0     1  0  0  0  0  0999 V2000
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 46 47  1  0  0  0  0
 46 69  1  0  0  0  0
 46 70  1  0  0  0  0
 46 71  1  0  0  0  0
M  CHG  2   7  -1  22   1
M  END

$$$$
D0G7WY
  -OEChem-02061504192D

158155  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0G8BM
  -OEChem-10101305022D

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 37 73  1  0  0  0  0
M  END

$$$$
D0G8BV
  -OEChem-04152109292D

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M  END

$$$$
D0G8NJ
  -OEChem-10121501092D

 88 93  0     1  0  0  0  0  0999 V2000
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 46 86  1  0  0  0  0
 46 87  1  0  0  0  0
 46 88  1  0  0  0  0
M  END

$$$$
D0G8NN
  -OEChem-10121502022D

 31 32  0     1  0  0  0  0  0999 V2000
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 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D0G8OC
  -OEChem-04152109232D

 75 77  0     1  0  0  0  0  0999 V2000
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 29 74  1  0  0  0  0
M  END

$$$$
D0G8PA
  -OEChem-10101305032D

 69 73  0     1  0  0  0  0  0999 V2000
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 17 49  1  0  0  0  0
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 18 47  1  0  0  0  0
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 33 35  1  0  0  0  0
 33 39  1  0  0  0  0
 34 35  2  0  0  0  0
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 40 64  1  0  0  0  0
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 40 66  1  0  0  0  0
 41 67  1  0  0  0  0
 41 68  1  0  0  0  0
 41 69  1  0  0  0  0
M  END

$$$$
D0G8QW
  -OEChem-10101305032D

 65 67  0     1  0  0  0  0  0999 V2000
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 14  7  1  6  0  0  0
 18  7  1  1  0  0  0
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 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 38  1  0  0  0  0
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 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
M  END

$$$$
D0G8SQ
  -OEChem-10101305022D

 26 25  0     1  0  0  0  0  0999 V2000
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    2.3660    1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  1  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  CHG  2   2  -1   4   1
M  END

$$$$
D0G9IU
  -OEChem-04152110502D

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 63124  1  0  0  0  0
 63125  1  0  0  0  0
 63126  1  0  0  0  0
M  END

$$$$
D0G9YH
  -OEChem-10101305022D

 47 50  0     0  0  0  0  0  0999 V2000
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   10.3991    0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1 27  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 19  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 23  2  0  0  0  0
 14 30  1  0  0  0  0
 15 24  1  0  0  0  0
 15 31  1  0  0  0  0
 16 21  1  0  0  0  0
 17 21  2  0  0  0  0
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 18 22  2  0  0  0  0
 18 32  1  0  0  0  0
 19 25  2  0  0  0  0
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 20 26  1  0  0  0  0
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 21 35  1  0  0  0  0
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 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END

$$$$
D0GA5T
  -OEChem-10121500202D

 43 46  0     0  0  0  0  0  0999 V2000
    8.1078   -4.1872    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531   -3.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.6872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5178   -4.5409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 27  1  0  0  0  0
  2 20  2  0  0  0  0
  3 23  2  0  0  0  0
  4  5  1  0  0  0  0
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 18 33  1  0  0  0  0
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 23 25  1  0  0  0  0
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 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END

$$$$
D0GC2M
  -OEChem-10121501102D

 22 21  0     0  0  0  0  0  0999 V2000
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    2.5369   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6675    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9091    0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  2 19  1  0  0  0  0
  5 10  2  0  0  0  0
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  7 12  1  0  0  0  0
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  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
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  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END

$$$$
D0GJ8R
  -OEChem-04152110542D

 46 45  0     1  0  0  0  0  0999 V2000
    4.8141    2.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1801    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9292    4.9860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.9860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6801    0.8660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6801    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8671    5.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0010    4.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0632    5.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END

$$$$
D0GL7U
  -OEChem-10191522542D

 48 51  0     1  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
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 22 48  1  0  0  0  0
M  END

$$$$
D0GQ7K
  -OEChem-04152121562D

 42 44  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0GR0T
  -OEChem-10101305022D

 57 58  0     1  0  0  0  0  0999 V2000
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 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
M  END

$$$$
D0GU4K
  -OEChem-04152121562D

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 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 35 57  1  0  0  0  0
M  END

$$$$
D0GV8J
  -OEChem-03101900412D

 42 46  0     1  0  0  0  0  0999 V2000
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 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END

$$$$
D0GY5Z
  -OEChem-10121500192D

 21 21  0     0  0  0  0  0  0999 V2000
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  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

$$$$
D0H0BG
  -OEChem-04152110102D

 26 26  0     1  0  0  0  0  0999 V2000
    4.6650    1.6561    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139   -2.6072    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.3560    2.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740    2.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049   -1.6561    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9521   -1.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    0.3471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    1.3471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6650    0.0381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7056    1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.1869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2266   -0.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 16  1  0  0  0  0
  7 16  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  6  0  0  0
 11 16  1  6  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  CHG  2   2   1   6  -1
M  END

$$$$
D0H0EQ
  -OEChem-10121500442D

 66 70  0     0  0  0  0  0  0999 V2000
    8.1817    6.1931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8216    4.9319    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9205    5.5532    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2962    0.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355    4.6239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785    4.2114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854    1.8529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4216   -4.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3678   -5.9978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555   -4.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6249    3.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5819    4.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5604    4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2712    3.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2282    3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9390    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2783   -1.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5889   -0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9461   -2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2387    3.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940    5.6958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0364    5.9434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    3.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2686    5.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6754    5.2493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404    5.1577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828    5.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    4.6119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1921    1.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -0.9203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1137    0.9536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1956   -0.2522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4846   -2.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3602   -2.5363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4076   -1.6608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 34  2  0  0  0  0
  9 36  1  0  0  0  0
 10 39  2  0  0  0  0
 11 14  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 19 53  1  0  0  0  0
 20 22  2  0  0  0  0
 20 54  1  0  0  0  0
 21 22  1  0  0  0  0
 21 55  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 57  1  0  0  0  0
 27 30  2  0  0  0  0
 27 58  1  0  0  0  0
 28 29  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 35  3  0  0  0  0
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 33 36  2  0  0  0  0
 34 37  1  0  0  0  0
 36 63  1  0  0  0  0
 37 38  2  0  0  0  0
 37 64  1  0  0  0  0
 38 39  1  0  0  0  0
 38 65  1  0  0  0  0
 39 66  1  0  0  0  0
M  END

$$$$
D0H0HJ
  -OEChem-04152108412D

 21 22  0     1  0  0  0  0  0999 V2000
    4.2320    1.8730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3660    1.3730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3660    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4649    0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    1.9719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    1.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834    1.1610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  6  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END

$$$$
D0H0KB
  -OEChem-10111523442D

 20 21  0     0  0  0  0  0  0999 V2000
    7.2764    0.6217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1700   -0.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1700    0.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

$$$$
D0H0ND
  -OEChem-10121500002D

 68 70  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0H0SJ
  -OEChem-10101305032D

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 41 45  2  0  0  0  0
 41 73  1  0  0  0  0
 42 43  2  0  0  0  0
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 43 75  1  0  0  0  0
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 45 46  1  0  0  0  0
 46 76  1  0  0  0  0
 47 78  1  0  0  0  0
 47 79  1  0  0  0  0
 47 80  1  0  0  0  0
 48 81  1  0  0  0  0
 48 82  1  0  0  0  0
 48 83  1  0  0  0  0
M  END

$$$$
D0H0WK
  -OEChem-04152109512D

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 36 40  1  0  0  0  0
 36 70  1  0  0  0  0
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 41 45  1  0  0  0  0
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 49 88  1  0  0  0  0
 50 52  1  0  0  0  0
 50 89  1  0  0  0  0
 50 90  1  0  0  0  0
M  CHG  8   1   3   5  -1   7  -1   8  -1  11  -1  13  -1  14  -1  91   1
M  CHG  2  92   1  93   1
M  END

$$$$
D0H1AR
  -OEChem-04152109142D

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 15  9  1  6  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 28  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 33  1  6  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 14 35  1  6  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 29 31  2  0  0  0  0
 29 48  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END

$$$$
D0H1GJ
  -OEChem-10101305032D

 30 31  0     0  0  0  0  0  0999 V2000
    3.0000    0.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7741    2.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  2  0  0  0  0
  6 14  2  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D0H1LO
          05101101182D 1   1.00000     0.00000     0

 14  9  0     0  0            999 V2000
    0.5690    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5690    0.8241    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1448   -0.4138    0.0000 O   0  5  0  0  0  0           0  0  0
    1.2862   -0.4138    0.0000 O   0  5  0  0  0  0           0  0  0
   -2.2828    0.0034    0.0000 La  0  1  0  0  0  0           0  0  0
   -1.5690   -2.2379    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5690   -1.4138    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.2828   -2.6517    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.8518   -2.6517    0.0000 O   0  5  0  0  0  0           0  0  0
    1.3620   -2.2379    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3620   -1.4138    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6482   -2.6517    0.0000 O   0  5  0  0  0  0           0  0  0
    2.0792   -2.6517    0.0000 O   0  5  0  0  0  0           0  0  0
   -2.2828   -3.6517    0.0000 La  0  1  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  6  7  2  0     0  0
  6  8  1  0     0  0
  6  9  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
 10 13  1  0     0  0
M  CHG  8   3  -1   4  -1   5   3   8  -1   9  -1  12  -1  13  -1  14   3
M  END

$$$$
D0H1QY
  -OEChem-10111523472D

 27 28  0     1  0  0  0  0  0999 V2000
    6.5640   -2.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7543    1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.6591    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4909    0.3068    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000   -1.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3228   -0.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640   -1.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8588    2.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8407    1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5007   -0.5431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -1.9691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -2.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294   -0.2353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523   -1.0836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9141   -0.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5349    0.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    2.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929    2.2626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743    1.9483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236    2.9006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885    1.1298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2422    2.3488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744   -1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8128   -2.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721   -1.7855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 22  1  0  0  0  0
  9 24  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 23  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END

$$$$
D0H1YQ
  -OEChem-10101305032D

 57 58  0     1  0  0  0  0  0999 V2000
    6.0794    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    7.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    4.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5426    4.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5426    6.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    6.1615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    6.1615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    6.1615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1464    4.6615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    3.1615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    6.1615    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1707    5.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016    6.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    7.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6823    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5484    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1464    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    7.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8785    4.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8785    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    4.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7724    4.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7724    6.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6785    4.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6785    5.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5387    3.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5387    7.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    6.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691    5.3903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807    5.2178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867    6.0371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1932    7.9536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    7.6161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2838    5.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0809    5.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9469    6.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1498    6.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    6.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0159    5.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8129    5.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9004    7.1615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    7.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6604    7.1615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7653    3.5069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7653    6.8161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755    2.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5494    2.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9187    3.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5364    2.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1587    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1587    7.1880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5364    7.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9187    7.1832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0794    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 57  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  1  0  0  0  0
  5 29  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 41  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  2  0  0  0  0
  8 22  1  0  0  0  0
  9 19  1  0  0  0  0
  9 23  2  0  0  0  0
 10 23  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  2  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D0H2DQ
  -OEChem-10121501232D

 83 84  0     0  0  0  0  0  0999 V2000
    6.3301   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0H2JP
  -OEChem-10101305032D

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 34 74  1  0  0  0  0
M  END

$$$$
D0H2MA
  -OEChem-04152110482D

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 47 51  2  0  0  0  0
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 49 51  1  0  0  0  0
 49 95  1  0  0  0  0
 50 52  1  0  0  0  0
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 52 98  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 54 56  1  0  0  0  0
 54100  1  0  0  0  0
 55 57  2  0  0  0  0
 55101  1  0  0  0  0
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 56102  1  0  0  0  0
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 57103  1  0  0  0  0
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 59104  1  0  0  0  0
 59105  1  0  0  0  0
 60106  1  0  0  0  0
 60107  1  0  0  0  0
 60108  1  0  0  0  0
M  CHG  4   3   1   4  -1   7  -1  12   1
M  END

$$$$
D0H2MO
  -OEChem-10101305022D

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    3.8944    9.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0885    5.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8154    5.5846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9889    3.6724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9279    7.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033    3.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2955    4.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7612    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 81  1  0  0  0  0
  2 14  1  0  0  0  0
  2 26  1  0  0  0  0
 13  3  1  1  0  0  0
  3 60  1  0  0  0  0
 16  4  1  6  0  0  0
  4 30  1  0  0  0  0
 18  5  1  6  0  0  0
  5 31  1  0  0  0  0
 17  6  1  1  0  0  0
  6 61  1  0  0  0  0
  7 22  2  0  0  0  0
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  9 31  2  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 21  1  6  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 38  1  1  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 23  1  6  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
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 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 27  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
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 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
 26 29  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 33  2  0  0  0  0
 29 65  1  0  0  0  0
 30 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 33 68  1  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
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 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 78  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
M  END

$$$$
D0H2QO
  -OEChem-04152108512D

 55 57  0     1  0  0  0  0  0999 V2000
    4.2690    0.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1196   -1.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875   -0.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7273    1.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5759   -3.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8439   -3.2877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.2251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    3.2944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.7323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9914    0.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.2598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7991    1.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8555   -0.2877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8516   -1.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273    0.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2593    0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914   -0.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157   -1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234   -0.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7234    0.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7118   -2.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9314    1.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5459    2.6745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    3.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3988    0.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1958    0.7591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    0.6051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    3.9144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694    2.3523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8579    0.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2414   -1.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6373   -1.8695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892   -0.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4015    2.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9938    0.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3890   -0.8944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8013    1.5302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3259   -1.9011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9300   -1.2093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.8798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1256    0.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5735   -3.9144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 30  2  0  0  0  0
  3 31  1  0  0  0  0
  3 54  1  0  0  0  0
  4 31  2  0  0  0  0
  5 32  1  0  0  0  0
  5 55  1  0  0  0  0
  6 32  2  0  0  0  0
  7 14  1  0  0  0  0
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  7 38  1  0  0  0  0
  8 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 39  1  0  0  0  0
  9 16  1  0  0  0  0
  9 20  1  0  0  0  0
  9 40  1  0  0  0  0
 10 18  1  0  0  0  0
 10 23  2  0  0  0  0
 11 19  1  0  0  0  0
 11 23  1  0  0  0  0
 11 42  1  0  0  0  0
 21 12  1  6  0  0  0
 12 30  1  0  0  0  0
 12 47  1  0  0  0  0
 13 23  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 21 41  1  0  0  0  0
 22 29  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 24 27  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 32  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D0H2RI
  CDK    9/16/09,9:56

 12 12  0  0  0  0  0  0  0  0999 V2000
   14.0226  -19.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0226  -19.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7451  -20.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4720  -19.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4720  -19.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7451  -18.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1948  -18.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1938  -20.3074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7438  -21.1035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3002  -20.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2992  -18.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5779  -19.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0 
  5  7  1  1  0  0  0 
  1  2  1  0  0  0  0 
  4  8  1  6  0  0  0 
  1  6  1  0  0  0  0 
  3  9  1  1  0  0  0 
  2  3  1  0  0  0  0 
  2 10  1  6  0  0  0 
  3  4  1  0  0  0  0 
  1 11  1  1  0  0  0 
  4  5  1  0  0  0  0 
 11 12  1  0  0  0  0 
M  ISO  1   8  18
M  ENDM  END

$$$$
D0H2SY
  -OEChem-10121501112D

 50 50  0     0  0  0  0  0  0999 V2000
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    4.2690    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END

$$$$
D0H2YX
  -OEChem-10101305032D

 74 74  0     1  0  0  0  0  0999 V2000
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 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 74  1  0  0  0  0
M  END

$$$$
D0H2ZW
  -OEChem-10121501472D

 38 39  0     0  0  0  0  0  0999 V2000
    2.0000    0.5950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 23 35  1  0  0  0  0
M  END

$$$$
D0H3HM
  -OEChem-10121500092D

 57 60  0     0  0  0  0  0  0999 V2000
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   12.0579   -2.4305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8664    0.5163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 33  1  0  0  0  0
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 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 25  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 26  1  0  0  0  0
 22 26  2  0  0  0  0
 22 29  1  0  0  0  0
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 25 30  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 53  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  2  0  0  0  0
 28 54  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D0H3KI
          06181100532D 1   1.00000     0.00000     0

 12 12  0     1  0            999 V2000
    0.7417   -1.9208    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.7583   -1.9208    0.0000 C   0  0  2  0  0  0           0  0  0
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   -0.6375    3.4083    0.0000 O   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  4  1  0     0  0
  4  1  1  0     0  0
  5  2  1  0     0  0
  6  3  1  0     0  0
  1  7  1  6     0  0
  2  8  1  1     0  0
  5  9  1  6     0  0
 10  4  1  0     0  0
  6 11  1  1     0  0
 12 11  1  0     0  0
  5  6  1  0     0  0
M  END

$$$$
D0H3MG
  -OEChem-04152108412D

137140  0     1  0  0  0  0  0999 V2000
    9.2966    0.0619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 71 72  1  0  0  0  0
 71136  1  0  0  0  0
 72137  1  0  0  0  0
M  END

$$$$
D0H3TD
  -OEChem-10101305022D

 37 38  0     1  0  0  0  0  0999 V2000
    7.2192   -0.2887    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273    1.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -1.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9186   -2.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2713   -2.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6804   -0.7887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2192    1.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    2.3094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6804    0.2113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6721    0.2155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6314    0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7192    0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2192    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491    1.0511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5292    0.9064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3392    2.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4092    2.8463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
  3 12  2  0  0  0  0
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  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
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  6 14  1  0  0  0  0
  7 19  1  0  0  0  0
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  8 20  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END

$$$$
D0H3WI
  -OEChem-10121501002D

 29 30  0     1  0  0  0  0  0999 V2000
    5.0298   -1.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3031    2.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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 11  2  1  1  0  0  0
  2 24  1  0  0  0  0
 10  3  1  1  0  0  0
  3 25  1  0  0  0  0
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 13  6  1  6  0  0  0
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 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D0H4GN
  -OEChem-10121501132D

 12 11  0     1  0  0  0  0  0999 V2000
    3.7320    1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  3  9  1  0  0  0  0
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  5 10  1  0  0  0  0
  6 10  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END

$$$$
D0H4JM
  -OEChem-10111523212D

 52 56  0     1  0  0  0  0  0999 V2000
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 13  1  1  6  0  0  0
  1 45  1  0  0  0  0
  2 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END

$$$$
D0H5DU
  -OEChem-10121501222D

 53 55  0     1  0  0  0  0  0999 V2000
    2.3100    0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 51  1  0  0  0  0
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 25 53  1  0  0  0  0
M  END

$$$$
D0H5LK
  -OEChem-10121501482D

 46 48  0     1  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 34  1  0  0  0  0
  9 13  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  2  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 15  1  0  0  0  0
 12 18  2  0  0  0  0
 13 16  2  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 39  1  0  0  0  0
 17 20  1  0  0  0  0
 17 40  1  0  0  0  0
 18 22  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D0H5MB
          11280715332D 1   1.00000     0.00000     0

 28 30  0     0  0            999 V2000
    6.4750   -6.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2542   -5.1917    0.0000 N   0  0  0  0  0  0           0  0  0
    6.4750   -5.4500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -8.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2542   -6.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7375   -5.8667    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.7542   -6.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7542   -7.5250    0.0000 O   0  0  0  0  0  0           0  0  0
    5.0417   -7.9417    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3292   -9.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9042   -8.7625    0.0000 N   0  0  0  0  0  0           0  0  0
    8.6167   -9.1667    0.0000 C   0  0  3  0  0  0           0  0  0
    6.4750   -8.7750    0.0000 C   0  0  3  0  0  0           0  0  0
    6.4750   -7.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1917   -9.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7542   -5.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5667   -5.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -5.4500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -6.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0167   -8.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2000   -9.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3417   -9.5875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3292  -10.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6167   -8.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9042   -9.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6167  -10.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9042  -10.0167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3  1  2  0     0  0
  4  7  1  0     0  0
  5  1  1  0     0  0
  6  5  2  0     0  0
  7 14  1  0     0  0
  8  1  1  0     0  0
  9  8  1  0     0  0
 10  4  2  0     0  0
 11  4  1  0     0  0
 12 16  1  0     0  0
 13 12  1  0     0  0
 14 15  1  0     0  0
 15  9  1  0     0  0
 16 14  1  0     0  0
 17  3  1  0     0  0
 18  6  1  0     0  0
 19 20  1  0     0  0
 20  8  2  0     0  0
 21 13  1  0     0  0
 22 13  1  0     0  0
 23 13  1  0     0  0
 24 11  2  0     0  0
 25 11  1  0     0  0
 26 25  2  0     0  0
 27 24  1  0     0  0
 28 26  1  0     0  0
  6  2  1  0     0  0
 19 17  2  0     0  0
 28 27  2  0     0  0
M  END

$$$$
D0H6QU
  -OEChem-10121500062D

 37 40  0     1  0  0  0  0  0999 V2000
    4.3198    1.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925   -1.2831    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.9343   -0.7862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9343    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6580   -0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6836    0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851   -2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    1.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502    2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337   -1.6362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6697   -1.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4668   -1.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8597   -1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2708   -0.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    0.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1651   -2.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805   -2.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4051   -2.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    2.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    2.0591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9478    2.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -1.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865    2.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 36  1  0  0  0  0
  2 19  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  1  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  2  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 20  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 35  1  0  0  0  0
M  END

$$$$
D0H6TP
  -OEChem-10121504072D

 27 28  0     0  0  0  0  0  0999 V2000
    2.8660    0.4050    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
    3.7320    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0950    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
    2.8660   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 15  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D0H6VY
  -OEChem-10101305022D

 28 28  0     1  0  0  0  0  0999 V2000
    4.5691   -0.1706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -1.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.4172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9511   -0.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424    1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491    0.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9247    1.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    1.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    1.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0957    1.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  6  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D0H7AV
  -OEChem-04152108532D

 44 46  0     0  0  0  0  0  0999 V2000
    5.2709   -0.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388   -2.5955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049    0.9045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388   -1.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851   -1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4851   -2.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0687   -2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388   -0.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049   -0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2709    1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2709    2.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1369    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1369    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END

$$$$
D0H7KF
  -OEChem-10121500312D

 52 55  0     0  0  0  0  0  0999 V2000
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 27 51  1  0  0  0  0
M  END

$$$$
D0H8FH
  -OEChem-10121501172D

 40 42  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0H8QL
  -OEChem-10121500282D

 33 36  0     1  0  0  0  0  0999 V2000
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 13 17  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D0H8VY
  -OEChem-10191522542D

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 48 87  1  0  0  0  0
 49 50  1  0  0  0  0
M  END

$$$$
D0H8WF
  -OEChem-10101305022D

471477  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0H9ZQ
  -OEChem-04152109242D

 33 32  0     1  0  0  0  0  0999 V2000
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    2.5369   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 27  1  0  0  0  0
  2  8  1  0  0  0  0
  2 30  1  0  0  0  0
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  4 33  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END

$$$$
D0HD9K
  -OEChem-10121501102D

 52 52  0     1  0  0  0  0  0999 V2000
    7.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 38  1  0  0  0  0
  3 21  2  0  0  0  0
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  5 29  1  0  0  0  0
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 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 35  1  0  0  0  0
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 11 37  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
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 19 43  1  0  0  0  0
 20 23  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 24  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END

$$$$
D0HE0Y
  -OEChem-03101900402D

 15 15  0     0  0  0  0  0  0999 V2000
    2.5369    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END

$$$$
D0HF0W
  -OEChem-04152108452D

 76 78  0     1  0  0  0  0  0999 V2000
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    1.5796    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5796    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2883   10.1508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 38 39  2  0  0  0  0
 38 74  1  0  0  0  0
 39 75  1  0  0  0  0
M  END

$$$$
D0HQ6N
  -OEChem-04152109042D

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M  END

$$$$
D0HR8Z
  -OEChem-10121500302D

 36 36  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0HU0W
  -OEChem-04152109322D

 45 47  0     1  0  0  0  0  0999 V2000
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   10.1688   -1.3186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0317   -0.4526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.3965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4891    1.0984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8713    2.1735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    1.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019   -3.4593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3300    2.9163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0476    4.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
 13  3  1  6  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 41  1  0  0  0  0
  6 19  2  0  0  0  0
  7 20  2  0  0  0  0
  8 24  1  0  0  0  0
  8 45  1  0  0  0  0
  9 24  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  6  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  6  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 20 22  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D0I0DL
  -OEChem-10101305022D

 51 53  0     1  0  0  0  0  0999 V2000
    2.5369   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -1.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450   -0.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 41  1  0  0  0  0
  2 24  1  0  0  0  0
  2 51  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 42  1  0  0  0  0
 16 20  2  0  0  0  0
 16 43  1  0  0  0  0
 17 21  1  0  0  0  0
 17 44  1  0  0  0  0
 18 22  2  0  0  0  0
 18 45  1  0  0  0  0
 19 23  2  0  0  0  0
 19 46  1  0  0  0  0
 20 23  1  0  0  0  0
 20 47  1  0  0  0  0
 21 24  2  0  0  0  0
 21 48  1  0  0  0  0
 22 24  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END

$$$$
D0I0DQ
  SciTegic11301210262D

 30 32  0  0  0  0            999 V2000
    3.4792    0.1208    0.0000 S   0  0
   -2.3083    0.9000    0.0000 C   0  0
    2.8125   -0.6250    0.0000 N   0  0
   -2.1000   -0.0792    0.0000 N   0  0
    3.1292   -1.5792    0.0000 C   0  0
   -3.2333    0.9375    0.0000 C   0  0
   -1.5500    1.5833    0.0000 C   0  0
   -2.9333   -0.6167    0.0000 O   0  0
    2.7792    0.7458    0.0000 C   0  0
   -3.6833    0.0708    0.0000 C   0  0
    4.2375   -0.5167    0.0000 O   0  0
    4.1542    0.8833    0.0000 O   0  0
    2.4875   -2.3250    0.0000 N   0  0
    4.1042   -1.7792    0.0000 O   0  0
   -1.5208    2.7333    0.0000 O   0  0
   -0.5583    1.5833    0.0000 N   0  0
    1.8542    0.4250    0.0000 C   0  0
    2.9875    1.7208    0.0000 C   0  0
    2.2375    2.3833    0.0000 C   0  0
    1.0917    1.1000    0.0000 C   0  0
    1.2875    2.0875    0.0000 C   0  0
    1.5250   -2.1292    0.0000 C   0  0
   -0.4208    2.5333    0.0000 C   0  0
   -4.3458   -0.0917    0.0000 C   0  0
    0.4917    2.8000    0.0000 C   0  0
    1.1917   -1.1750    0.0000 C   0  0
    0.8417   -2.8792    0.0000 C   0  0
   -0.1208   -2.6917    0.0000 C   0  0
    0.2000   -1.0000    0.0000 C   0  0
   -0.4333   -1.7292    0.0000 C   0  0
  2  7  1  0
  3  1  1  0
  4  2  2  0
  5  3  1  0
  6  2  1  0
  7 16  1  0
  8  4  1  0
  9  1  1  0
 10  6  2  0
 11  1  2  0
 12  1  2  0
 13  5  1  0
 14  5  2  0
 15  7  2  0
 16 23  1  0
 17  9  1  0
 18  9  2  0
 19 18  1  0
 20 17  2  0
 21 19  2  0
 22 13  1  0
 23 25  1  0
 24 10  1  0
 25 21  1  0
 26 22  1  0
 27 22  1  0
 28 27  1  0
 29 26  1  0
 30 28  1  0
 20 21  1  0
 29 30  1  0
  8 10  1  0
M  END

$$$$
D0I0DS
  -OEChem-10101305032D

 21 22  0     0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443    1.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    1.9479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D0I0EG
  -OEChem-10121500332D

 29 29  0     1  0  0  0  0  0999 V2000
    2.0000   -1.9594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    1.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000    0.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.6284    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2320    2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    1.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4921    1.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    2.7083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    3.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    3.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    2.7083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    1.8805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    1.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -1.3518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -0.4964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 29  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 28  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  1  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  1  0  0  0
 11 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END

$$$$
D0I0RB
  -OEChem-04152109412D

 47 50  0     1  0  0  0  0  0999 V2000
    6.3301    2.3665    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 11 30  1  0  0  0  0
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 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
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 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 23  1  0  0  0  0
 21 41  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 25  2  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

$$$$
D0I0RJ
  -OEChem-10111523472D

 23 23  0     0  0  0  0  0  0999 V2000
    7.7331   -0.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END

$$$$
D0I1FQ
  -OEChem-04152109512D

 53 55  0     0  0  0  0  0  0999 V2000
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 32 53  1  0  0  0  0
M  END

$$$$
D0I1LH
  -OEChem-10111523582D

 54 57  0     1  0  0  0  0  0999 V2000
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    2.8680   -2.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.5661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -0.2958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.8992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.2541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    1.2541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    1.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.5925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -2.1468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.1939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -3.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -3.2630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324   -0.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -0.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9300    1.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787   -0.2325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -0.2229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -0.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -1.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -3.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.3992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6490    1.1210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2423    1.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    2.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  1 51  1  0  0  0  0
  2 20  2  0  0  0  0
  3 22  2  0  0  0  0
  4 25  2  0  0  0  0
  5 26  1  0  0  0  0
  5 54  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  6  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  1  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  6  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 21  1  1  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 16  1  0  0  0  0
 13 22  1  1  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 23  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
M  END

$$$$
D0I1SK
  -OEChem-10121501052D

 24 25  0     1  0  0  0  0  0999 V2000
    3.9563    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8536   -0.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473   -1.7566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1642    1.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601   -2.9155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4534    2.9155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8106    1.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.9645    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1427    1.9650    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9074   -0.4965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9074    0.5035    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9563   -0.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8536    0.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3685    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4372    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084   -1.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    1.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439   -0.9025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4661    0.9045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078    0.4184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078   -0.4113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980   -0.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980    0.4183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
 13  3  1  1  0  0  0
  4 10  1  0  0  0  0
 14  4  1  6  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  1  0  0  0
 12 14  1  0  0  0  0
 12 18  1  1  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  CHG  4   5  -1   7  -1   9   1  10   1
M  END

$$$$
D0I1XG
  -OEChem-10101305022D

479483  0     1  0  0  0  0  0999 V2000
   50.1570   11.3437    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   50.3604   12.3228    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.8239  -12.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5330  -12.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7115  -10.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4285  -12.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5318  -10.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3317   -0.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0626    1.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0780  -10.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0677  -16.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3598  -13.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1606   -9.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983   -3.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3871  -11.3427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8171  -12.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3320  -13.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9111  -13.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1192   -8.1803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9048  -10.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3411   -4.5585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3505   -8.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8954   -6.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.3458   -9.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8077   -8.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.9443   -6.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.2385   -3.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7445   -2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.5447    1.8062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5625   -6.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.8389    5.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.1451   10.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0387    0.9650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.4959   -5.1077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.6391    9.7191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.5658   -0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   49.6267    7.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.3449    6.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4205    0.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.2589    5.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.3929    7.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   57.9686    8.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.0809    6.5944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   57.2476    7.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   58.2226   12.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.6817   15.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.6667   16.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   56.6384   15.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.9591   15.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2020  -11.2866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5299  -11.1303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1537  -11.7231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6073   -0.4853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9903  -11.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7825  -11.4237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721  -14.8588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5196   -2.3137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7879    2.1853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3567  -11.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.1123  -10.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5477  -15.0216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.7411   -9.8707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2690  -13.4469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -4.7213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5384  -10.7857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6792  -14.2866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.0709   -8.6170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9142  -14.7680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5290   -6.5497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6261   -8.9572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.4249   -7.1450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.9367  -13.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.0353   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.9464   -9.5910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.9815  -10.8898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.0143   -2.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.8355   -0.5729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.6357    3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.2117    9.1014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.8145    1.8851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.8299    9.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.6147    6.2622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.4359    8.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   51.1368    8.5868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.8204    7.4212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   57.4838   11.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   56.5040    8.5868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.0052    1.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.4871   -0.8753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   56.1377   13.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.3204   14.7309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   50.8720   14.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   58.3633   15.3599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2543  -10.9675    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.2649   -9.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2192   -9.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7983  -10.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5008  -12.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4391  -11.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4767  -12.4591    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7147  -11.7094    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.7756  -13.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8086  -12.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4098    0.4950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.0986  -14.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4164    0.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8055  -11.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0I2MK
  -OEChem-10121500382D

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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 17  2  0  0  0  0
 15 39  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END

$$$$
D0I2SD
  -OEChem-10111523592D

 57 60  0     1  0  0  0  0  0999 V2000
    8.0319    2.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.0917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931    1.0917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -0.4083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610    0.0917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -0.4151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    1.3964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -1.9775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7430   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242    0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1493    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489   -2.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -0.7535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -0.8276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972    0.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    2.0667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    2.0667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    1.6743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -0.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -0.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.0302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -1.3343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    1.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1087   -2.2886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    2.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    2.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324    0.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    0.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787    0.5801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    1.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.5896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718    0.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -0.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4476    2.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.6264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -2.9799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6513   -3.5975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689   -2.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8090    1.0086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    1.3214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153    2.1405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
  1 50  1  0  0  0  0
  2 20  2  0  0  0  0
  3 24  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  1  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  1  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  6  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  1  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  6  0  0  0
 15 39  1  0  0  0  0
 16 22  2  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
M  END

$$$$
D0I2VK
  -OEChem-10121501182D

 30 31  0     0  0  0  0  0  0999 V2000
    4.0981    3.3649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.5913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    2.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    3.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    4.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843    4.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END

$$$$
D0I2VR
          02251100112D 1   1.00000     0.00000     0

 38 36  0     0  0            999 V2000
    8.3042   -2.4583    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9500   -1.8458    0.0000 N   0  3  3  0  0  0           0  0  0
    7.5987   -2.4594    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5634   -1.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1727   -1.8458    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7903   -1.4875    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3324   -1.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8777   -1.9791    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8766   -2.6940    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4956   -3.0485    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1037   -2.6935    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1008   -1.9755    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4938   -1.6247    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7131   -1.6193    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3318   -1.9715    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7108   -0.9110    0.0000 O   0  5  0  0  0  0           0  0  0
    5.7223   -3.0459    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9736   -4.8833    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9724   -5.5982    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5872   -5.9527    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2078   -5.5977    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2050   -4.8797    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5854   -4.5289    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8256   -4.5193    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4402   -4.8756    0.0000 O   0  0  0  0  0  0           0  0  0
    5.8191   -3.8068    0.0000 O   0  5  0  0  0  0           0  0  0
    5.8265   -5.9501    0.0000 O   0  0  0  0  0  0           0  0  0
    9.9098   -4.8833    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9109   -5.5982    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2878   -5.9527    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6755   -5.5977    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6784   -4.8797    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2896   -4.5289    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0578   -4.5193    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4432   -4.8756    0.0000 O   0  0  0  0  0  0           0  0  0
    8.0642   -3.8068    0.0000 O   0  5  0  0  0  0           0  0  0
    8.0527   -5.9501    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7500   -3.9708    0.0000 Mg  0  2  0  0  0  0           0  0  0
  3  2  1  0     0  0
  2  7  1  0     0  0
  2  4  1  0     0  0
  4  5  1  0     0  0
  2  1  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 18  1  0     0  0
 22 24  1  0     0  0
 24 25  2  0     0  0
 24 26  1  0     0  0
 21 27  1  0     0  0
  5  6  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13  8  1  0     0  0
 12 14  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 33 28  1  0     0  0
 32 34  1  0     0  0
 34 35  2  0     0  0
 34 36  1  0     0  0
 31 37  1  0     0  0
 11 17  1  0     0  0
M  CHG  5   2   1  16  -1  26  -1  36  -1  38   2
M  END

$$$$
D0I2WV
  SciTegic12111210002D

 28 29  0  0  0  0            999 V2000
   -9.3991  -25.7518    0.0000 C   0  0
  -10.1136  -26.1643    0.0000 C   0  0
  -10.1136  -26.9893    0.0000 C   0  0
   -9.3991  -27.4018    0.0000 C   0  0
   -8.6846  -26.9893    0.0000 C   0  0
   -8.6846  -26.1643    0.0000 C   0  0
   -9.3991  -23.9250    0.0000 C   0  0  2  0  0  0
   -8.6846  -23.5125    0.0000 C   0  0
   -8.6846  -22.6875    0.0000 C   0  0
   -9.3991  -22.2750    0.0000 N   0  0
  -10.1136  -22.6875    0.0000 C   0  0
  -10.1136  -23.5125    0.0000 C   0  0
  -10.8280  -22.2750    0.0000 C   0  0
   -7.9702  -22.2750    0.0000 C   0  0
   -7.2557  -22.6875    0.0000 O   0  0
   -6.5412  -22.2750    0.0000 C   0  0
   -5.8268  -22.6875    0.0000 C   0  0
   -5.1123  -22.2750    0.0000 N   0  0
   -7.9702  -23.9250    0.0000 C   0  0
   -7.2557  -23.5125    0.0000 O   0  0
   -7.9702  -24.7500    0.0000 O   0  0
   -6.5412  -23.9250    0.0000 C   0  0
   -5.8268  -23.5125    0.0000 C   0  0
  -10.8280  -23.9250    0.0000 C   0  0
  -10.8281  -24.7500    0.0000 O   0  0
  -11.5425  -23.5125    0.0000 O   0  0
  -12.2570  -23.9250    0.0000 C   0  0
   -7.9701  -25.7518    0.0000 Cl  0  0
  1  2  1  0
  1  6  2  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  7  1  1  1
  7  8  1  0
 12  7  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  9 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  2  0
 20 22  1  0
 22 23  1  0
 12 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
  6 28  1  0
M  END

$$$$
D0I3IG
  -OEChem-04152110542D

 46 45  0     1  0  0  0  0  0999 V2000
    4.8141    2.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1801    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9292    4.9860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.9860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8671    5.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 32  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 33  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 34  1  0  0  0  0
  6 17  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7 18  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
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 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
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 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END

$$$$
D0I3LE
  -OEChem-04152109572D

787797  0     1  0  0  0  0  0999 V2000
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388397  1  0  0  0  0
388762  1  0  0  0  0
389398  1  0  0  0  0
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390399  2  0  0  0  0
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391766  1  0  0  0  0
392402  2  0  0  0  0
392767  1  0  0  0  0
393403  1  0  0  0  0
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394404  2  0  0  0  0
394769  1  0  0  0  0
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397773  1  0  0  0  0
398400  2  0  0  0  0
398774  1  0  0  0  0
399400  1  0  0  0  0
399775  1  0  0  0  0
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402405  1  0  0  0  0
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403406  2  0  0  0  0
403781  1  0  0  0  0
404406  1  0  0  0  0
404782  1  0  0  0  0
405783  1  0  0  0  0
M  END

$$$$
D0I3RO
  -OEChem-10121501312D

 26 26  0     1  0  0  0  0  0999 V2000
    3.4030    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 23  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4 15  1  0  0  0  0
  4 26  1  0  0  0  0
  5 12  2  0  0  0  0
  8  6  1  1  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D0I3XG
  -OEChem-04152109192D

190200  0     1  0  0  0  0  0999 V2000
    7.8200   11.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2192   29.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7999    9.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0I4DQ
  -OEChem-10191522532D

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M  END

$$$$
D0I5DS
  -OEChem-04152108392D

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  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  6  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 29  1  1  0  0  0
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  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
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 15 18  1  0  0  0  0
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 18 19  1  0  0  0  0
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 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  2  0  0  0  0
 23 50  1  0  0  0  0
 24 27  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
M  END

$$$$
D0I5HF
  -OEChem-10121500492D

 59 63  0     0  0  0  0  0  0999 V2000
    8.0622    0.8689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5172   -3.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1171    3.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -0.3264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580   -1.1311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1636   -3.0926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8744   -1.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851   -2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5172    1.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4743    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8279    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8064    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0956    3.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -2.6061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3894    1.4765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  2  0  0  0  0
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  3 28  2  0  0  0  0
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  8 22  2  0  0  0  0
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 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 21  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 22 28  1  0  0  0  0
 23 25  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
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 26 50  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 51  1  0  0  0  0
 30 32  2  0  0  0  0
 30 52  1  0  0  0  0
 31 33  2  0  0  0  0
 31 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 54  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
M  END

$$$$
D0I5HV
  SciTegic12111210002D

 19 19  0  0  0  0            999 V2000
   -1.7875    0.3708    0.0000 C   0  0
   -0.9625   -0.7917    0.0000 C   0  0
   -3.1625   -0.0875    0.0000 S   0  0
    0.4542   -0.7917    0.0000 N   0  0
   -1.7875   -1.9000    0.0000 C   0  0
    1.1542   -2.0292    0.0000 C   0  0
   -1.3333    1.7208    0.0000 C   0  0
   -3.1458   -1.4417    0.0000 C   0  0
    0.4292   -3.2375    0.0000 O   0  0
   -2.2625    2.7833    0.0000 O   0  0
    2.5542   -2.0167    0.0000 C   0  0
    0.0292    1.9875    0.0000 O   0  0
    3.2792   -0.8250    0.0000 N   0  0
   -1.3625   -3.2375    0.0000 C   0  0
    2.5667    0.3958    0.0000 C   0  0
    3.2417   -3.2667    0.0000 C   0  0
    0.6042    3.5958    0.0000 C   0  0
    3.2542    1.6333    0.0000 C   0  0
    2.5667    2.8833    0.0000 C   0  0
  2  1  2  0
  3  1  1  0
  4  2  1  0
  5  2  1  0
  6  4  1  0
  7  1  1  0
  8  3  1  0
  9  6  2  0
 10  7  2  0
 11  6  1  0
 12  7  1  0
 13 11  1  0
 14  5  1  0
 15 13  1  0
 16 11  1  0
 17 12  1  0
 18 15  1  0
 19 18  1  0
  5  8  2  0
M  END

$$$$
D0I5KX
  -OEChem-10101305022D

432431  0     1  0  0  0  0  0999 V2000
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   13.3312   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5946    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5991   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7953   -4.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0I5WB
  -OEChem-04152108472D

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 41 42  1  0  0  0  0
 41 77  1  0  0  0  0
 42 78  1  0  0  0  0
M  END

$$$$
D0I6IB
  -OEChem-04152108412D

 33 35  0     1  0  0  0  0  0999 V2000
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 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END

$$$$
D0I6IP
  -OEChem-04152109302D

163165  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0I6JF
  SciTegic11301210262D

  7  4  0  0  0  0            999 V2000
    0.9000   -3.8750    0.0000 P   0  0
    0.2917   -4.2292    0.0000 O   0  5
    1.5042   -4.2292    0.0000 O   0  5
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   -0.9083   -4.2792    0.0000 Na  0  3
    2.5250   -4.2500    0.0000 Na  0  3
  2  1  1  0
  3  1  1  0
  4  1  2  0
  5  1  1  0
M  CHG  4   2  -1   3  -1   6   1   7   1
M  ISO  1   1  32
M  ENDM  END

$$$$
D0I7SZ
  -OEChem-10121500482D

 62 64  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0I8CA
  -OEChem-10101305022D

 60 61  0     0  0  0  0  0  0999 V2000
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    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  2  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
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  4 28  1  0  0  0  0
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  5 22  1  0  0  0  0
  5 28  1  0  0  0  0
  5 60  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
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  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 25  1  0  0  0  0
 18 51  1  0  0  0  0
 19 24  1  0  0  0  0
 19 52  1  0  0  0  0
 20 27  2  0  0  0  0
 20 53  1  0  0  0  0
 21 26  2  0  0  0  0
 21 54  1  0  0  0  0
 22 24  2  0  0  0  0
 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 23 27  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
M  END

$$$$
D0I8DD
  -OEChem-10121500202D

 33 35  0     0  0  0  0  0  0999 V2000
    4.7199   -0.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    4.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949   -5.3646    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6629   -5.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601    4.7446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    2.3968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289   -4.8646    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2601    3.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289   -0.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9511    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3379   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6629   -2.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4411    1.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289   -3.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629   -3.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949   -3.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    3.0769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3933    1.1758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -2.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9319   -2.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1259   -3.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9319   -3.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  8 20  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 17  2  0  0  0  0
 13 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 28  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 23  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  CHG  2   4  -1   9   1
M  END

$$$$
D0I8FI
  -OEChem-10101305022D

 32 32  0     1  0  0  0  0  0999 V2000
    3.4030    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7456    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4040    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3810    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 29  1  0  0  0  0
  2 13  1  0  0  0  0
  2 31  1  0  0  0  0
  3 15  1  0  0  0  0
  3 32  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 26  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
M  END

$$$$
D0I8LU
  -OEChem-04152109192D

 52 55  0     0  0  0  0  0  0999 V2000
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    7.2641    2.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END

$$$$
D0I8RR
  -OEChem-10101305022D

 33 33  0     1  0  0  0  0  0999 V2000
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 15  4  1  1  0  0  0
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 12  8  1  1  0  0  0
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 18 31  1  0  0  0  0
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 18 33  1  0  0  0  0
M  END

$$$$
D0I8YO
  -OEChem-10101305022D

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M  END

$$$$
D0I9HF
  -OEChem-10101305022D

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 43 76  1  0  0  0  0
 43 77  1  0  0  0  0
M  END

$$$$
D0ID4Z
  -OEChem-04152110352D

684710  0     1  0  0  0  0  0999 V2000
   45.2694    6.2740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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412429  1  0  0  0  0
412623  1  0  0  0  0
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413626  1  0  0  0  0
414430  1  0  0  0  0
414627  1  0  0  0  0
415628  1  0  0  0  0
415629  1  0  0  0  0
415630  1  0  0  0  0
417632  1  0  0  0  0
417633  1  0  0  0  0
417634  1  0  0  0  0
419635  1  0  0  0  0
421637  1  0  0  0  0
421638  1  0  0  0  0
421639  1  0  0  0  0
422434  1  0  0  0  0
422641  1  0  0  0  0
423642  1  0  0  0  0
423643  1  0  0  0  0
423644  1  0  0  0  0
424645  1  0  0  0  0
424646  1  0  0  0  0
424647  1  0  0  0  0
425648  1  0  0  0  0
425649  1  0  0  0  0
425650  1  0  0  0  0
426651  1  0  0  0  0
426652  1  0  0  0  0
426653  1  0  0  0  0
428654  1  0  0  0  0
428655  1  0  0  0  0
428656  1  0  0  0  0
431438  1  0  0  0  0
432436  1  0  0  0  0
432657  1  0  0  0  0
433437  2  0  0  0  0
435660  1  0  0  0  0
437440  1  0  0  0  0
M  CHG  8  41   1  42   1  43   1  44   1  45   1  46   1  47   1  48   1
M  CHG  8  49   1  50   1  51   1  52   1  53   1  54   1  55   1  56   1
M  CHG  8  57   1  58   1  59   1  60   1 121  -1 122  -1 123  -1 124  -1
M  CHG  8 125  -1 126  -1 127  -1 129  -1 130  -1 131  -1 132  -1 133  -1
M  CHG  8 134  -1 135  -1 136  -1 137  -1 138  -1 139  -1 153  -1 156  -1
M  END

$$$$
D0IE1E
  Mrv0541 04051115152D          

 14 14  0  0  0  0            999 V2000
    0.8794   -3.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3945   -2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260   -2.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5807   -0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7292    0.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841    0.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507    0.9986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167    1.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167    2.3085    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0312    2.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978    2.7210    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  9  8  1  0  0  0  0
 11  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END

$$$$
D0IG4I
  -OEChem-10101305032D

 72 75  0     1  0  0  0  0  0999 V2000
    2.2948   -0.5859    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8779   -1.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9077   -2.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3631   -2.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5049   -0.7957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5645   -3.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7473    0.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3788   -2.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622   -3.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7031    1.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5347   -2.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6056   -1.2331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6354   -2.6679    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7772   -0.6729    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8070   -2.1078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8786    1.3845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2796   -0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3786   -0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1408   -2.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907   -2.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6495   -0.6146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1490   -3.0152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2636   -0.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7630   -2.7262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2084    1.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4372    1.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.9889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0607    0.3336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    1.0874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6778    0.9207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2314    0.2604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7046   -0.6703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9206   -2.5195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0185   -1.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0781   -4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    2.3318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3652    1.6422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1270   -1.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7913    1.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 32  2  0  0  0  0
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 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
M  END

$$$$
D0IH2I
  -OEChem-04152110572D

  8  7  0     0  0  0  0  0  0999 V2000
    4.2690    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9399   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  ISO  1   4  13
M  END

$$$$
D0IL7L
  -OEChem-10121501092D

 52 55  0     1  0  0  0  0  0999 V2000
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   10.8722    1.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0622    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  6  0  0  0
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 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
M  END

$$$$
D0IN7I
  -OEChem-04152108402D

 53 55  0     1  0  0  0  0  0999 V2000
    6.3301   -4.0442    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 23 25  1  0  0  0  0
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 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END

$$$$
D0IQ6P
  -OEChem-10121500432D

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 37 59  1  0  0  0  0
 37 60  1  0  0  0  0
 37 61  1  0  0  0  0
M  END

$$$$
D0IT2G
  -OEChem-10111523552D

 57 60  0     1  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D0IT2X
  -OEChem-10121501122D

 31 33  0     1  0  0  0  0  0999 V2000
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  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  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
 17 19  1  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D0IV3M
  -OEChem-04152122242D

 10  9  0     0  0  0  0  0  0999 V2000
    5.1350   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END

$$$$
D0IX1A
  -OEChem-10101305032D

 49 50  0     0  0  0  0  0  0999 V2000
    8.2251    0.7764    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.3371    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.0341    1.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4160    1.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6373   -0.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7251    2.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7251    2.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604   -0.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0550   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8128   -0.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6861   -2.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3441    0.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6005    1.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496    1.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1060    0.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1891   -0.4715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7743    0.2471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -1.7972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -2.1346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018   -2.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0299   -1.7134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4664   -0.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1945   -0.3044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.2182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.0434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3315    2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6603    2.9318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7899    2.9318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1186    2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8137    0.6679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -0.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.3608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8841   -1.3331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6122   -1.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796   -2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -2.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2925   -2.1863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3113   -0.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1773   -0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3145    0.3318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
M  CHG  2   1   1   2   1
M  END

$$$$
D0IX6I
  -OEChem-10191522022D

 54 57  0     1  0  0  0  0  0999 V2000
    8.0319    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8722    1.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.3938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931    0.6062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -0.8938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.3938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.9109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -0.9007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587    0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1493    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972    0.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.5811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    1.5811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.5209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.5157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7731    1.6062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -2.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2324    0.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    0.1455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5074    0.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4382    1.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
  1 48  1  0  0  0  0
  2 16  2  0  0  0  0
  3 22  2  0  0  0  0
  4 26  1  0  0  0  0
  4 54  1  0  0  0  0
  5 25  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  6  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  1  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 28  1  1  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 29  1  6  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 18  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  1  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
M  END

$$$$
D0J0BU
  -OEChem-10101305022D

 54 56  0     0  0  0  0  0  0999 V2000
   10.6603    4.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
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  2 29  1  0  0  0  0
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 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 23  2  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
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 17 36  1  0  0  0  0
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 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 40  1  0  0  0  0
 25 42  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  2  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 32  1  0  0  0  0
 30 53  1  0  0  0  0
 31 32  2  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D0J0ZS
  -OEChem-10121500382D

 29 29  0     0  0  0  0  0  0999 V2000
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    3.3100    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 29  1  0  0  0  0
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  3 28  1  0  0  0  0
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  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
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  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END

$$$$
D0J1MI
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    4.5981    1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 23  1  0  0  0  0
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 14 15  1  0  0  0  0
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 20 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D0J1ML
  -OEChem-10121501082D

 49 52  0     1  0  0  0  0  0999 V2000
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 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  3  0  0  0  0
 18 20  2  0  0  0  0
 18 43  1  0  0  0  0
 19 21  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END

$$$$
D0J1VY
  -OEChem-10121500552D

 37 37  0     0  0  0  0  0  0999 V2000
    4.5981    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0950    0.0000 O   0  5  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
    6.3301    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5950    0.0000 N   0  3  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
    6.3301    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5062    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 20  1  0  0  0  0
  2 36  1  0  0  0  0
  3 21  1  0  0  0  0
  3 37  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 22  3  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D0J2KV
  -OEChem-10111523502D

 52 53  0     1  0  0  0  0  0999 V2000
    8.0622   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5947   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4675   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 41  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
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  9 35  1  0  0  0  0
 10 15  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 18  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 40  1  0  0  0  0
 17 22  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  2  0  0  0  0
 19 48  1  0  0  0  0
 20 23  1  0  0  0  0
 20 46  1  0  0  0  0
 21 24  2  0  0  0  0
 21 47  1  0  0  0  0
 22 49  1  0  0  0  0
 23 25  2  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D0J2MJ
  -OEChem-10101305022D

 33 32  0     1  0  0  0  0  0999 V2000
    5.7456    3.8700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4450    4.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0930    5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 33  1  0  0  0  0
  3  2  1  6  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  3  0  0  0  0
 15 32  1  0  0  0  0
M  END

$$$$
D0J2NK
  -OEChem-04152109272D

 57 60  0     1  0  0  0  0  0999 V2000
    6.9338    1.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -1.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5194   -2.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075   -2.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9338    0.9246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.1738    0.9593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6938    0.9593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 33 54  1  0  0  0  0
M  END

$$$$
D0J2TN
  -OEChem-10121501142D

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 34 66  1  0  0  0  0
M  END

$$$$
D0J4GO
  -OEChem-10191522532D

 22 22  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0J4IX
  -OEChem-04152109052D

 41 44  0     1  0  0  0  0  0999 V2000
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 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D0J4JM
  -OEChem-10121500292D

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M  END

$$$$
D0J5DC
  -OEChem-10111523532D

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  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D0J5KF
  -OEChem-10111523442D

 47 50  0     1  0  0  0  0  0999 V2000
    4.3211   -0.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7985    2.6881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.0514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.8562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    2.3163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7775    2.0057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6917    0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6687    3.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1116    4.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1242    4.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6903    3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -4.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0190    2.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854    1.7416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7278    4.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2432    3.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -4.9993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -5.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.2414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  2  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  6  0  0  0
  8 10  1  0  0  0  0
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  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
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 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D0J5RN
  -OEChem-10101305032D

 34 35  0     1  0  0  0  0  0999 V2000
    3.7320    0.3450    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  6  0  0  0
  3 19  2  0  0  0  0
  4 19  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 19  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 28  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D0J5TS
  -OEChem-04152109102D

 79 83  0     1  0  0  0  0  0999 V2000
    8.1962    0.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981   -1.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6962   -3.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962   -0.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6962   -1.6670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.1990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320    2.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.6990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4641    1.1990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3301    0.6990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1962   -0.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -1.3010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6962   -1.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1962   -2.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1962   -2.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6962   -3.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6962   -1.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6962   -3.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6962   -1.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1615   -4.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962   -2.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2308   -4.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6753   -5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170   -5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2307   -4.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1962   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    0.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    2.4636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    2.4636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9272    1.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -1.6110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611   -0.6110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1135   -1.8790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8038   -2.2776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962   -1.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162   -0.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962   -0.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    2.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.6621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0062   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7932   -2.6110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    3.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    5.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    5.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8441    5.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3862   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5415   -4.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8162   -2.5330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3633   -5.7348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0290   -5.7348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2379   -4.9014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8507   -4.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2236   -3.6614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1962   -1.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 46 77  1  0  0  0  0
 46 78  1  0  0  0  0
 46 79  1  0  0  0  0
M  END

$$$$
D0J5VR
  -OEChem-10111523082D

 49 53  0     1  0  0  0  0  0999 V2000
    8.0785   -3.3220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  6  0  0  0
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 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  END

$$$$
D0J5YC
  -OEChem-10121504072D

 40 42  0     0  0  0  0  0  0999 V2000
    7.6632    2.6102    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2451    0.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3212    1.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0052    3.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6029    2.2682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7235    2.9522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9943    0.5572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 37  1  0  0  0  0
M  END

$$$$
D0J6WW
          11280714462D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
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  2  1  1  0     0  0
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  4  3  1  0     0  0
  5  2  2  0     0  0
  6  4  2  0     0  0
  7  6  1  0     0  0
  8  1  2  0     0  0
  9  4  1  0     0  0
 10  5  1  0     0  0
 11  3  1  0     0  0
 12 13  1  0     0  0
 13  9  2  0     0  0
 14 10  2  0     0  0
 15 10  1  0     0  0
 16 11  1  0     0  0
 17 11  1  0     0  0
 18 13  1  0     0  0
 19 14  1  0     0  0
 20 15  2  0     0  0
 21 20  1  0     0  0
  5  6  1  0     0  0
  7 12  2  0     0  0
 19 21  2  0     0  0
M  END

$$$$
D0J6WX
  -OEChem-04152108502D

 59 61  0     1  0  0  0  0  0999 V2000
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    1.6069   12.5155    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9929    9.1371    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8528    7.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5940    8.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D0J7CP
          01210517132D 1   1.00000     0.00000     0

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 32 20  1  0     0  0
 14  7  1  0     0  0
 81 92  1  0     0  0
 93 97  1  0     0  0
 95 98  2  0     0  0
M  ISO  1  71 111
M  END

$$$$
D0J7OG
  -OEChem-04152109192D

124126  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0J7RK
  -OEChem-10121500362D

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 18 41  1  0  0  0  0
 19 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D0J7TM
  -OEChem-04152108532D

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 42 83  1  0  0  0  0
M  END

$$$$
D0J7XL
  -OEChem-04152108502D

266273  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0J8IJ
  -OEChem-10101305032D

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M  END

$$$$
D0J8JP
  -OEChem-10121501562D

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 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 23 27  1  0  0  0  0
 23 53  1  0  0  0  0
 24 28  2  0  0  0  0
 24 54  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 31  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
M  END

$$$$
D0J8ZA
  -OEChem-10121501242D

 30 31  0     1  0  0  0  0  0999 V2000
    8.1282    1.2879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.7604    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6315    0.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.2363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923   -1.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7637    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951   -0.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900    1.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    0.2268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9899   -1.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3 13  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 18  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D0J9HW
  -OEChem-10121501402D

 55 59  0     0  0  0  0  0  0999 V2000
    7.3301   -2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542    2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4603    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4603    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395   -2.5989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0622    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0063   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4048   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3913    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9960    0.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 17  2  0  0  0  0
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  7 25  2  0  0  0  0
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  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  2  0  0  0  0
 19 46  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 51  1  0  0  0  0
 30 32  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  2  0  0  0  0
 31 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END

$$$$
D0J9UN
  -OEChem-10191522532D

 26 26  0     0  0  0  0  0  0999 V2000
    3.7320    2.5600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4 15  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D0J9XZ
  -OEChem-10191522532D

 44 45  0     0  0  0  0  0  0999 V2000
    7.1962   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5482    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  4 15  2  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  0  0  0  0
  8 16  2  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  2  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 22  1  0  0  0  0
 19 24  1  0  0  0  0
 20 23  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D0J9ZR
  -OEChem-10121501572D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 29  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D0JC9N
  -OEChem-10121500372D

 59 64  0     0  0  0  0  0  0999 V2000
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    2.8602    4.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4231   -4.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9504   -3.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9504   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -4.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3288   -4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4412   -4.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -1.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7123   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322    3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7401    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    3.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    3.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5428   -4.1274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7856   -3.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2890   -4.9851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5610   -3.0868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1624   -2.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0659   -2.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6674   -3.0868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0795   -2.8185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8297   -3.5140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7442   -4.7450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9599   -4.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2480   -5.0166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0194   -5.3939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7112   -1.3064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0223   -1.5333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4023   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
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  2 59  1  0  0  0  0
  3 31  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 33  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 32  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 46  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 24  1  0  0  0  0
 22 53  1  0  0  0  0
 23 25  2  0  0  0  0
 23 54  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 56  1  0  0  0  0
 28 30  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
M  END

$$$$
D0JE2E
  -OEChem-10121500002D

 61 62  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0JJ7S
  -OEChem-03081904032D

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M  END

$$$$
D0JL2K
  -OEChem-10101305032D

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    6.0010    0.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -1.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5254   -1.7810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5331    0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5215   -2.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8834    2.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7339   -1.0931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427   -2.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2176   -1.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524   -1.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -2.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0511   -1.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470   -1.8595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0611   -2.0931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -0.9082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9334    0.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1364    0.6954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0073   -0.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6115    0.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9291   -1.5964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9015   -2.7786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5191   -3.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1415   -2.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5034    2.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8762    3.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    2.7739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 22  2  0  0  0  0
  3 26  1  0  0  0  0
  3 48  1  0  0  0  0
  4 26  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 21  2  0  0  0  0
 12 32  1  0  0  0  0
 13 20  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  2  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 36  1  0  0  0  0
 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 23  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D0JO3U
  -OEChem-10101305022D

 45 47  0     0  0  0  0  0  0999 V2000
    0.6068    1.0056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3570    8.5458    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4910    7.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4670    3.8526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3164    1.2081    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9637    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2727    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6328    1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2509    3.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696    2.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6110    1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9200    2.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632    3.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2959    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3238    0.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9354    2.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5599    4.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    1.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540    3.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6383    2.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2737    1.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546    2.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9827    0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    8.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4910    8.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4659    4.4726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    0.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7342    0.8167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1322    0.0355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9135    0.4335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1202    3.5592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1495    4.2378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7515    5.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9702    4.6209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4859    0.9548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698    4.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2443    2.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488    2.8676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5204    0.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4450    0.8754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350    9.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    8.8558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3150    8.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 42  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  5 14  2  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  2  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D0JO7Y
  -OEChem-10111523212D

 88 91  0     1  0  0  0  0  0999 V2000
   11.4954   -3.1972    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   14.2620   -6.1654    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2621   -6.1885    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2852   -8.1768    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2735   -7.1653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2737   -7.1885    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1857    8.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    3.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6352   -3.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    5.7937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9288    6.7937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628    5.2937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1968    5.7937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628    7.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750    7.0985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750    5.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789    4.2522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1968    6.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586    6.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    7.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2868    5.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9506    3.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787    4.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9622    2.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599    5.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3433    3.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8339    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120    5.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037    4.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8455    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7172    0.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7288   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6005   -0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6121   -1.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4839   -2.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3672   -3.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787   -4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2505   -5.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2620   -6.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2736   -7.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0188    4.9485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022    4.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9329    6.2187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4613    7.7687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6643    7.7687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    7.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6240    4.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124    5.1798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    3.6322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    7.3763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862    6.6861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9195    5.8790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9195    6.7085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5488    7.7937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    8.4137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3088    7.7937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835    3.2485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5818    3.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624    3.6617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1559    4.3473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    8.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504    2.8629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    2.1773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719    6.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457    3.0756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4457    2.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0392    2.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787    5.6392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2337    1.3731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6402    0.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3290    0.6819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9225    1.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 88  1  0  0  0  0
 40 41  1  0  0  0  0
M  END

$$$$
D0JO8Z
  -OEChem-10101305022D

 50 51  0     0  0  0  0  0  0999 V2000
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 25 28  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
M  END

$$$$
D0JV4Q
          07190700072D 1   1.00000     0.00000     0

 20 22  0     0  0            999 V2000
    5.3167   -3.3875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9292   -3.0292    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  1  2  0     0  0
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  9 11  2  0     0  0
 10  7  3  0     0  0
 11  4  1  0     0  0
 12  5  1  0     0  0
 13  4  1  0     0  0
 14 13  2  0     0  0
 15  8  1  0     0  0
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 17  8  2  0     0  0
 18 15  2  0     0  0
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 20 19  2  0     0  0
  6 12  1  0     0  0
 14  9  1  0     0  0
 18 20  1  0     0  0
M  END

$$$$
D0JW1S
          01210517062D 1   1.00000     0.00000     0

 29 28  0     0  0            999 V2000
    5.6417   -2.2125    0.0000 N   0  0  3  0  0  0           0  0  0
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  2 23  1  0     0  0
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 10  2  1  0     0  0
 11  4  1  0     0  0
 12  3  1  0     0  0
 13  5  2  0     0  0
 14  7  2  0     0  0
 15  6  2  0     0  0
 16  8  2  0     0  0
 17 20  1  0     0  0
 18 19  1  0     0  0
 19  4  1  0     0  0
 20  1  1  0     0  0
 21 24  1  0     0  0
 22  1  1  0     0  0
 23 22  1  0     0  0
 24  2  1  0     0  0
 25  5  1  0     0  0
 26  6  1  0     0  0
 27  8  1  0     0  0
 28  7  1  0     0  0
 18  3  1  0     0  0
M  END

$$$$
D0JY3V
  -OEChem-04152110472D

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 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D0JY5S
  -OEChem-10101305022D

 51 53  0     0  0  0  0  0  0999 V2000
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 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 45  1  0  0  0  0
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 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 51  1  0  0  0  0
 25 50  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D0JY8T
  -OEChem-10121501292D

 69 73  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0K0AT
  -OEChem-10121500452D

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M  END

$$$$
D0K0DY
  -OEChem-04152111182D

126125  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0K0EK
  -OEChem-10101305032D

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    7.6880   -1.5046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681    0.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2075    0.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.8188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
 21  2  1  1  0  0  0
  2 49  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  6  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  6  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  1  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  1  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 15  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 16  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  END

$$$$
D0K0KH
  -OEChem-10111523512D

 41 44  0     1  0  0  0  0  0999 V2000
    5.9674   -0.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8851    3.6380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.4679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0896    3.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5421    2.5067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9599    4.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124    3.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917    1.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9346    3.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7051    4.1566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9267    1.7487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    4.3133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7287    4.6325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6436    2.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9770    3.4215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2072    1.4457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2431    0.6309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256   -0.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497    0.5551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656    0.1529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272    4.5379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3453    4.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7420    3.3593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.6631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -4.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 37  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  6  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D0K0MI
          06020700112D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   -0.0034    0.0000    0.0000 S   0  0  0  0  0  0           0  0  0
    0.0379   -1.4379    0.0000 F   0  0  0  0  0  0           0  0  0
   -0.0345    1.4276    0.0000 F   0  0  0  0  0  0           0  0  0
    1.2241    0.7517    0.0000 F   0  0  0  0  0  0           0  0  0
    1.2552   -0.6828    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.2517    0.6897    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.2207   -0.7552    0.0000 F   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  0     0  0
  1  6  1  0     0  0
  1  7  1  0     0  0
M  END

$$$$
D0K0MW
  -OEChem-10101305022D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0000   -1.0194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    1.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.5175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D0K0OZ
  -OEChem-10121501072D

 35 35  0     0  0  0  0  0  0999 V2000
    7.7513   -0.0255    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.3857    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7545    0.5654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028    1.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    0.6947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2545   -0.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8981   -0.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0146   -0.6947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.0766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7088   -0.3346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5498    0.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4944   -0.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4455   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0635   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7577   -0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5456    0.7163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7660    0.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3588   -1.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3084   -1.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318   -0.5298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1695    0.0803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8377   -0.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0105    1.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9601    1.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  1  0  0  0  0
  7 19  2  0  0  0  0
  8 16  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 20  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 20  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D0K0SB
  -OEChem-04152110592D

 71 74  0     1  0  0  0  0  0999 V2000
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    7.1376    1.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25  6  1  1  0  0  0
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 28  8  1  1  0  0  0
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 36 64  1  0  0  0  0
 36 65  1  0  0  0  0
 39 68  1  0  0  0  0
 39 69  1  0  0  0  0
M  END

$$$$
D0K0TC
  -OEChem-10121500282D

 37 39  0     1  0  0  0  0  0999 V2000
    2.0000   -2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 37  1  0  0  0  0
M  END

$$$$
D0K0VO
  -OEChem-10101305032D

 57 59  0     0  0  0  0  0  0999 V2000
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 28 57  1  0  0  0  0
M  END

$$$$
D0K1QD
          10210900332D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
    6.2167   -2.4417    0.0000 S   0  0  3  0  0  0           0  0  0
    5.6042   -2.8000    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
  3  1  2  0     0  0
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  8  6  1  0     0  0
  9  7  2  0     0  0
 10  9  1  0     0  0
 11 12  1  0     0  0
 12 10  1  0     0  0
 10  8  2  0     0  0
M  END

$$$$
D0K1ST
  -OEChem-03101900402D

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   16.3933    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 44 87  1  0  0  0  0
M  END

$$$$
D0K1XK
  -OEChem-10121501272D

 20 21  0     0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$
D0K2TB
  -OEChem-10101305032D

 62 62  0     1  0  0  0  0  0999 V2000
   13.2583   -2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1278   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1233   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END

$$$$
D0K3DQ
  -OEChem-10101305022D

 57 60  0     1  0  0  0  0  0999 V2000
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 27 31  2  0  0  0  0
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 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END

$$$$
D0K3LW
  -OEChem-10101305022D

 38 37  0     1  0  0  0  0  0999 V2000
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 19 33  1  0  0  0  0
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M  END

$$$$
D0K3MC
  -OEChem-10121501402D

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 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D0K3QS
  -OEChem-10121500432D

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M  END

$$$$
D0K3VA
  -OEChem-04152110472D

 26 26  0     1  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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 14 25  1  0  0  0  0
M  END

$$$$
D0K3WO
  -OEChem-10101305032D

132134  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0K3ZR
  -OEChem-10121501112D

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 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END

$$$$
D0K4CQ
  -OEChem-10101305032D

 47 49  0     0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 41  1  0  0  0  0
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 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END

$$$$
D0K4MH
  -OEChem-04152109372D

 41 40  0     1  0  0  0  0  0999 V2000
    6.8671    3.3700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5981    4.1200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5981    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END

$$$$
D0K5CB
  -OEChem-10121500392D

 38 38  0     1  0  0  0  0  0999 V2000
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    5.1350   -3.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    2.2220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3671    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  2 37  1  0  0  0  0
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  4 20  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END

$$$$
D0K5ER
  -OEChem-10101305032D

 56 57  0     1  0  0  0  0  0999 V2000
   10.9156    9.7133    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5369    4.9444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1066   11.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5848   10.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0345    9.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9240   10.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5255    9.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4821    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8806    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0580    5.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6594    5.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3369   11.8888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8480    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2280    3.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    5.1344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 23  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  2  0  0  0  0
  4 23  2  0  0  0  0
  5 33  1  0  0  0  0
  5 55  1  0  0  0  0
  6 32  1  0  0  0  0
  6 56  1  0  0  0  0
  7 33  2  0  0  0  0
  8 32  2  0  0  0  0
  9 15  1  0  0  0  0
  9 23  1  0  0  0  0
  9 45  1  0  0  0  0
 10 18  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 24  1  0  0  0  0
 11 28  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 37  1  0  0  0  0
 17 22  2  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 24 26  2  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 31  2  0  0  0  0
 30 33  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D0K5LQ
  -OEChem-10121501272D

 25 27  0     0  0  0  0  0  0999 V2000
    5.3147   -1.6329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.3671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.2261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.8353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747   -0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808   -0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0631    2.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0675   -1.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    1.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    1.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165   -0.4658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6831    2.4089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0560    3.0217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    2.3945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  2  0  0  0  0
  5  7  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D0K5OT
  -OEChem-04152122302D

 41 42  0     1  0  0  0  0  0999 V2000
    9.2365    1.4781    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1854   -2.7852    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.5715   -0.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8764   -1.8342    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.5236   -1.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442    0.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854    0.1691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715    1.8818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854    1.1691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8242    0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365   -0.1400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2771    1.1732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2771    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333    1.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333    0.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5455   -1.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6050    1.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8994    2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2273    2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2608    2.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7981   -0.5784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7041    0.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    0.7553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1349    1.6213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2688    1.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2688   -0.4203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1349   -0.2832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7332    2.4803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8233    2.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440    0.2559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    1.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  3 13  2  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  6 17  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
 12  8  1  1  0  0  0
  8 17  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  6  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  6  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END

$$$$
D0K5SN
  -OEChem-04152109122D

107111  0     1  0  0  0  0  0999 V2000
    6.8671    1.6755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.6755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.3245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.1755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.3245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292    4.0415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1798   -2.8553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    3.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    4.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -3.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1972    3.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1972    3.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9030   -3.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5632    4.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3158   -2.3520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0K5WS
  -OEChem-04152109462D

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 28 71  1  0  0  0  0
M  END

$$$$
D0K6GZ
  -OEChem-10101305032D

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M  END

$$$$
D0K6MW
  -OEChem-04152109582D

229242  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0K7HU
  -OEChem-10121501372D

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M  END

$$$$
D0K7LU
  -OEChem-04152109472D

 36 38  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0K7NQ
  -OEChem-10101305032D

179179  0     1  0  0  0  0  0999 V2000
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 69 77  1  0  0  0  0
 69143  1  0  0  0  0
 69144  1  0  0  0  0
 71 80  1  0  0  0  0
 71145  1  0  0  0  0
 72146  1  0  0  0  0
 72147  1  0  0  0  0
 72148  1  0  0  0  0
 73152  1  0  0  0  0
 73153  1  0  0  0  0
 74 81  1  0  0  0  0
 74150  1  0  0  0  0
 74151  1  0  0  0  0
 76154  1  0  0  0  0
 76155  1  0  0  0  0
 78157  1  0  0  0  0
 78158  1  0  0  0  0
 78159  1  0  0  0  0
 79162  1  0  0  0  0
 79163  1  0  0  0  0
 79164  1  0  0  0  0
 80165  1  0  0  0  0
 80166  1  0  0  0  0
 80167  1  0  0  0  0
 81170  1  0  0  0  0
 81171  1  0  0  0  0
M  END

$$$$
D0K7WK
  -OEChem-10111523432D

 41 44  0     1  0  0  0  0  0999 V2000
    5.3923   -1.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3780   -0.9952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9866   -1.1705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.4536    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0547    0.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    1.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -1.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9088   -0.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.6683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1990    0.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3939   -2.5941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9431   -3.2776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6266   -2.7285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 17  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D0K8CI
  -OEChem-10101305032D

 79 79  0     0  0  0  0  0  0999 V2000
    6.6661    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.9030    7.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   13.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    7.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010   11.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    4.5369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7690   11.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0369    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1709    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312   13.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5632   13.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4292   13.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4326   12.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2297   12.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0957   14.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2987   14.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3637   14.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5666   14.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1647   12.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9617   12.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8278   14.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0307   14.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8346   14.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9853   12.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6350   15.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   14.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
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  7 32  1  0  0  0  0
  7 75  1  0  0  0  0
  8 12  1  0  0  0  0
  8 37  1  0  0  0  0
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  9 14  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 13  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
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 12 47  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 54  1  0  0  0  0
 15 55  1  0  0  0  0
 16 19  1  0  0  0  0
 16 56  1  0  0  0  0
 16 57  1  0  0  0  0
 17 20  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 20 23  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 21 24  1  0  0  0  0
 21 64  1  0  0  0  0
 21 65  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 68  1  0  0  0  0
 24 69  1  0  0  0  0
 24 70  1  0  0  0  0
 25 29  1  0  0  0  0
 25 71  1  0  0  0  0
 26 30  2  0  0  0  0
 26 72  1  0  0  0  0
 27 31  1  0  0  0  0
 27 33  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 76  1  0  0  0  0
 34 36  1  0  0  0  0
 34 77  1  0  0  0  0
 35 36  2  0  0  0  0
 35 78  1  0  0  0  0
 36 79  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D0K8IX
  -OEChem-10101305032D

 10 10  0     0  0  0  0  0  0999 V2000
    4.2601    1.0794    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END

$$$$
D0K8KX
  -OEChem-10121500362D

 32 34  0     0  0  0  0  0  0999 V2000
    6.8671    0.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   -2.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    0.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
M  END

$$$$
D0K8MP
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
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 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END

$$$$
D0K9MY
  -OEChem-10121500482D

 48 52  0     1  0  0  0  0  0999 V2000
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 22 23  1  6  0  0  0
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M  END

$$$$
D0KD1U
  -OEChem-10121500382D

 41 41  0     1  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END

$$$$
D0KD4X
  -OEChem-10101305032D

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 43102  1  0  0  0  0
 44103  1  0  0  0  0
 44104  1  0  0  0  0
 44105  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D0KG3R
  -OEChem-10121500492D

 47 50  0     1  0  0  0  0  0999 V2000
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 27 46  1  0  0  0  0
 28 29  2  0  0  0  0
 28 47  1  0  0  0  0
M  END

$$$$
D0KG4B
  -OEChem-04152108552D

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 29 15  1  1  0  0  0
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 43 70  1  0  0  0  0
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M  CHG  2   3   1   7  -1
M  END

$$$$
D0KK2E
  -OEChem-10111523092D

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M  END

$$$$
D0KL4J
  -OEChem-10121501242D

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M  END

$$$$
D0KL9X
  -OEChem-04152122232D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Kr -3  0  0  0  0  0  0  0  0  0  0  0
M  ISO  1   1  81
M  END

$$$$
D0KN2M
  -OEChem-04152109302D

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 33 56  1  0  0  0  0
 34 37  2  0  0  0  0
 35 37  1  0  0  0  0
 35 57  1  0  0  0  0
M  END

$$$$
D0KR2J
  -OEChem-04152109552D

 35 37  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0KR5B
  -OEChem-10191522532D

 56 59  0     1  0  0  0  0  0999 V2000
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 10  1  1  6  0  0  0
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 13  2  1  1  0  0  0
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 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END

$$$$
D0KR9U
  -OEChem-10121500172D

 77 85  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0KS6W
  -OEChem-04152108442D

 40 41  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0L0GM
  -OEChem-10121501292D

 65 66  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0L0MB
  -OEChem-10101305022D

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M  END

$$$$
D0L0MK
  -OEChem-04152110352D

 43 46  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0L0SW
  -OEChem-04152110102D

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 29 48  1  0  0  0  0
M  END

$$$$
D0L0ZF
  -OEChem-10101305032D

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 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D0L1JW
  -OEChem-10101305022D

 49 53  0     1  0  0  0  0  0999 V2000
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 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D0L1OY
  -OEChem-04152109162D

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 49 96  1  0  0  0  0
 50 97  1  0  0  0  0
 50 98  1  0  0  0  0
M  CHG  2   3   1   4   1
M  END

$$$$
D0L1WV
  -OEChem-04152109192D

 31 32  0     1  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D0L2CI
  -OEChem-04152111322D

837848  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0L2LS
  -OEChem-10111523582D

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 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
M  END

$$$$
D0L2MX
  -OEChem-10121501112D

 40 42  0     0  0  0  0  0  0999 V2000
   11.5923    1.2879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   12.0956    0.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4564   -1.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END

$$$$
D0L2UN
  -OEChem-04152110052D

 66 64  0     1  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
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 31 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D0L3DK
  -OEChem-10121500482D

 47 50  0     1  0  0  0  0  0999 V2000
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 21 47  1  0  0  0  0
M  END

$$$$
D0L3MP
  -OEChem-10101305032D

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M  END

$$$$
D0L4HY
  -OEChem-10121500372D

 22 22  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0L4JT
  -OEChem-04152108492D

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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END

$$$$
D0L4SD
  -OEChem-04152109032D

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M  END

$$$$
D0L4YD
  -OEChem-10121501382D

 53 57  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0L5AP
  -OEChem-04152111332D

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 46 48  1  0  0  0  0
 48 99  1  0  0  0  0
 48100  1  0  0  0  0
M  END

$$$$
D0L5CZ
  -OEChem-10121500172D

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M  CHG  1   5   1
M  END

$$$$
D0L5FY
  -OEChem-10121501202D

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 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 30  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END

$$$$
D0L5KU
  -OEChem-04152109372D

 47 50  0     1  0  0  0  0  0999 V2000
    2.0000   -0.2812    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.5003    2.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8857    0.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374   -1.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374    0.5824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235   -1.8947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9063    1.5581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609   -0.1994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7384   -1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9358    0.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7139   -0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734   -2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3374    0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2306    0.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9517   -2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1839   -1.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7234    0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2518   -3.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036    1.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -1.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2055    1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669    2.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0330    3.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725    2.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358    3.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4752    2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1657    0.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9668   -0.5961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510   -0.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1997    1.5979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6154    1.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2207   -3.3282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288   -2.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5925    0.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8226   -2.8379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044   -3.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6811   -3.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334   -2.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0851    2.2633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3822    3.7228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    2.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668    3.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6132    1.7748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0797    2.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3373    2.9837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 28  1  0  0  0  0
  3 23  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  2  0  0  0  0
  6  9  2  0  0  0  0
  6 16  1  0  0  0  0
  7 20  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
  8 29  1  0  0  0  0
 10 15  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 23  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 35  1  0  0  0  0
 18 22  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END

$$$$
D0L5PO
  -OEChem-04152122252D

 28 29  0     0  0  0  0  0  0999 V2000
    5.1350    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END

$$$$
D0L5QT
  -OEChem-04152109292D

 49 44  0     0  0  0  0  0  0999 V2000
    2.8660   -2.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    8.9282    3.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8535   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5 27  1  0  0  0  0
  6 27  2  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 28  2  0  0  0  0
 12 29  2  0  0  0  0
 13 30  2  0  0  0  0
 14 31  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 22  1  0  0  0  0
 16 20  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 21  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 27  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 28  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 29  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 30  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 31  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  CHG  8   1   2   2   1   3   1   4   1   5  -1   7  -1   8  -1   9  -1
M  CHG  1  10  -1
M  END

$$$$
D0L5RW
  -OEChem-10121501562D

 90 92  0     1  0  0  0  0  0999 V2000
    6.1200    1.7320    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.1200   -1.7320    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.1200    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6200   -4.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6200   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6200   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1200   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 86  1  0  0  0  0
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M  END

$$$$
D0L5WM
  -OEChem-10111523502D

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M  END

$$$$
D0L5YV
  -OEChem-10121500392D

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 29 30  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
M  END

$$$$
D0L6DA
  -OEChem-10111523592D

 36 38  0     0  0  0  0  0  0999 V2000
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 10 17  1  0  0  0  0
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 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D0L6DO
          01240513192D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
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    4.2292   -4.2167    0.0000 P   0  0  3  0  0  0           0  0  0
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  2  8  1  0     0  0
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 10  1  1  0     0  0
 11  7  1  0     0  0
 12  6  1  0     0  0
 13  3  1  0     0  0
 14 12  2  0     0  0
 15 11  2  0     0  0
 16  6  1  0     0  0
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 19  3  2  0     0  0
 20  2  2  0     0  0
 21  2  1  0     0  0
 22  2  1  0     0  0
 23 25  2  0     0  0
 24 13  1  0     0  0
 25 19  1  0     0  0
 26 23  1  0     0  0
 15  4  1  0     0  0
 14  5  1  0     0  0
 23 18  1  0     0  0
M  END

$$$$
D0L6JE
  -OEChem-10101305022D

794802  0     1  0  0  0  0  0999 V2000
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   24.9267   49.3632    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   39.2897   22.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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405791  1  0  0  0  0
M  END

$$$$
D0L6QI
  -OEChem-10101305032D

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 58125  1  0  0  0  0
 58126  1  0  0  0  0
 58127  1  0  0  0  0
M  END

$$$$
D0L7AS
  -OEChem-10101305032D

 63 65  0     1  0  0  0  0  0999 V2000
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 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
M  END

$$$$
D0L7FM
  -OEChem-10121500232D

 38 38  0     0  0  0  0  0  0999 V2000
    3.7320    1.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
M  END

$$$$
D0L7LC
  -OEChem-10121501042D

 72 73  0     1  0  0  0  0  0999 V2000
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 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
M  END

$$$$
D0L7UQ
  -OEChem-10101305032D

 24 24  0     0  0  0  0  0  0999 V2000
    3.7320    2.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END

$$$$
D0L7VL
  -OEChem-10101305022D

 71 74  0     0  0  0  0  0  0999 V2000
    5.4641    5.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 35 70  1  0  0  0  0
 36 71  1  0  0  0  0
M  END

$$$$
D0L9GG
  -OEChem-10121501102D

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 22 35  1  0  0  0  0
M  END

$$$$
D0L9HX
  -OEChem-10101305032D

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M  END

$$$$
D0L9UU
  -OEChem-10111523482D

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 29 31  1  0  0  0  0
 29 58  1  0  0  0  0
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 30 61  1  0  0  0  0
 31 67  1  0  0  0  0
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 31 69  1  0  0  0  0
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 32 73  1  0  0  0  0
 33 74  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
M  END

$$$$
D0L9YX
  -OEChem-10101305022D

 16 13  0     0  0  0  0  0  0999 V2000
    3.4030    0.0950    0.0000 Al  0  0  0  0  0  1  0  0  0  0  0  0
    4.2690    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END

$$$$
D0L9ZR
  -OEChem-10101305032D

 47 50  0     1  0  0  0  0  0999 V2000
    4.6077    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3856   -2.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4679    0.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679    0.2327    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7359    0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    0.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    0.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4679   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9180    1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
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 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D0LC6K
  -OEChem-10121500562D

 57 60  0     1  0  0  0  0  0999 V2000
    9.0465    2.1870    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0182    0.0672    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 25  1  1  0  0  0
 18 26  1  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 27  2  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 51  1  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  1  0  0  0  0
 28 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D0LG8E
  -OEChem-10121500392D

 27 27  0     1  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  1  0  0  0
  1 21  1  0  0  0  0
  3  2  1  1  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D0LJ6P
          04290500582D 1   1.00000     0.00000     0

 15 15  0     0  0            999 V2000
   -1.2583   -3.1500    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7917   -2.7000    0.0000 N   0  3  0  0  0  0           0  0  0
   -0.0083   -2.2375    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.7500   -4.6542    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.0083   -0.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7958   -4.6125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2458   -3.1958    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3250    0.0958    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1292   -1.2417    0.0000 O   0  5  0  0  0  0           0  0  0
   -3.9167   -3.7833    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6625   -0.6917    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3250    1.6417    0.0000 N   0  0  0  0  0  0           0  0  0
    4.0000    4.7583    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6625    2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6625    3.9625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  7  3  1  0     0  0
  8  5  1  0     0  0
  9  2  1  0     0  0
 10  2  2  0     0  0
 11  8  2  0     0  0
 12  8  1  0     0  0
 13 15  1  0     0  0
 14 12  1  0     0  0
 15 14  1  0     0  0
  6  7  2  0     0  0
M  CHG  2   2   1   9  -1
M  END

$$$$
D0LJ8C
  -OEChem-10101305032D

132129  0     1  0  0  0  0  0999 V2000
    3.0739   11.6985    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5739   11.6985    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.6909    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.0443    7.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6108   21.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0749   19.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4768   20.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9104    9.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2405    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1065    3.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745    3.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   11.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3449   11.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4188   11.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2089   21.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5084    6.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5960   21.9478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2141   21.9478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9050   22.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9050   22.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5084    7.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6424    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3429   21.8600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3429   22.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7764    7.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.3745    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0749   21.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745    9.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4768   23.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2089   23.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2089   20.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7764    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3429   19.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4768   21.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9104    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9409   21.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3429   18.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5084    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2405    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4768   18.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8070   21.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9409   20.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5084   10.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2405   10.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745   11.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6730   20.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2405    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6730   21.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8070   19.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4768   17.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745   12.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5390   19.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2405    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4050   20.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3123    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5084   12.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2405   12.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5390   18.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2711   19.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5084   13.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2405   13.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4050   18.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4050   21.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745   14.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2711   18.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0454    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0409    8.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2439    8.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3429   21.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3429   23.4800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3133    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5865    7.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9850    8.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4734   22.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6764   22.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9715    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5189   22.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7458   23.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8989   23.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7868   23.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399   23.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1668   22.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1564    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7764    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3964    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1308   20.4426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7323   19.7523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5549   18.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9534   18.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9715    9.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7774    9.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7639    5.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1624    4.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2648   18.9426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8663   18.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8070   22.4800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4040   20.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9715   10.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7774   10.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8511    4.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4525    5.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2099   21.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8070   19.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0739   21.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8568   17.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4768   16.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0968   17.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5768    8.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7798    8.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0023    8.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7754    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6223    7.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9715   12.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7774   12.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0021   18.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8080   20.1700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9715   13.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7774   13.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4050   17.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745   14.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8080   18.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1065    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5406   23.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8819   12.0085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9557   12.0085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8819   12.0085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8080   12.0085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739   12.0085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 35  1  0  0  0  0
  4 54  1  0  0  0  0
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 10 56  1  0  0  0  0
 10125  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 32  1  1  0  0  0
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 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 30 82  1  0  0  0  0
 31 33  1  0  0  0  0
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 32 87  1  0  0  0  0
 32 88  1  0  0  0  0
 33 37  1  0  0  0  0
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 36 43  2  0  0  0  0
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 38 41  1  0  0  0  0
 39 45  1  0  0  0  0
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 40 46  2  0  0  0  0
 40 94  1  0  0  0  0
 41 49  1  0  0  0  0
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 43 50  1  0  0  0  0
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 44100  1  0  0  0  0
 45 47  2  0  0  0  0
 45101  1  0  0  0  0
 46 47  1  0  0  0  0
 46102  1  0  0  0  0
 47 53  1  0  0  0  0
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 49 56  1  0  0  0  0
 49103  1  0  0  0  0
 49104  1  0  0  0  0
 50105  1  0  0  0  0
 51106  1  0  0  0  0
 52108  1  0  0  0  0
 52109  1  0  0  0  0
 52110  1  0  0  0  0
 53 59  2  0  0  0  0
 53 60  1  0  0  0  0
 54 58  1  0  0  0  0
 54111  1  0  0  0  0
 54112  1  0  0  0  0
 55 57  1  0  0  0  0
 55 61  2  0  0  0  0
 57 62  2  0  0  0  0
 57 66  1  0  0  0  0
 58113  1  0  0  0  0
 58114  1  0  0  0  0
 58115  1  0  0  0  0
 59 63  1  0  0  0  0
 59116  1  0  0  0  0
 60 64  2  0  0  0  0
 60117  1  0  0  0  0
 61 65  1  0  0  0  0
 61118  1  0  0  0  0
 62 68  1  0  0  0  0
 62119  1  0  0  0  0
 63 67  2  0  0  0  0
 63120  1  0  0  0  0
 64 67  1  0  0  0  0
 64121  1  0  0  0  0
 65 68  2  0  0  0  0
 65122  1  0  0  0  0
 67123  1  0  0  0  0
 68124  1  0  0  0  0
M  CHG  3   1   1   2   1   3   1
M  END

$$$$
D0LM4A
  -OEChem-04152109162D

 29 32  0     1  0  0  0  0  0999 V2000
    9.2314   -0.1051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4410   -2.0088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038    0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    0.0602    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4414    1.0262    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7048    2.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8099   -0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543   -0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8730    0.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527   -1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450    0.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1255   -1.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7693   -0.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711   -1.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    0.4237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7561    1.5604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0226    2.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0916    2.1007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0697   -1.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8952   -1.1702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4809    0.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8540    1.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8303   -0.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3715   -1.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397    1.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9744   -2.3051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -0.6990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 25  1  0  0  0  0
  2 13  2  0  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D0LR0R
  -OEChem-10121501192D

 41 44  0     1  0  0  0  0  0999 V2000
    4.6660   -2.3339    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    1.5025    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660   -0.3339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1661    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6366    2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4456    0.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093    1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5645    0.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9472    0.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4231    2.9582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    1.2487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8678   -0.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 19  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 41  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D0LR4B
          06240900592D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
    1.4833    0.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7375    1.9833    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1000    0.4875    0.0000 C   0  0  3  0  0  0           0  0  0
    5.1625    1.5625    0.0000 C   0  0  3  0  0  0           0  0  0
    2.7125    0.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5500    1.9125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4875    1.5500    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7333    2.6875    0.0000 O   0  0  0  0  0  0           0  0  0
    3.3250    0.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7125    1.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9375    1.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8708    0.4875    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9375    0.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3250    1.9083    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3083    1.5625    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0875    0.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3792    0.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1000   -0.2208    0.0000 C   0  0  0  0  0  0           0  0  0
  2  4  1  0     0  0
  3  1  1  0     0  0
  4  6  1  0     0  0
  5  3  1  0     0  0
  6 11  1  0     0  0
  7  1  2  0     0  0
  8  2  2  0     0  0
  9  5  1  0     0  0
 10  5  2  0     0  0
 11 13  1  0     0  0
 12  1  1  0     0  0
 13  9  2  0     0  0
 14 10  1  0     0  0
 15  2  1  0     0  0
 16 17  1  0     0  0
 17  4  1  0     0  0
 18  3  1  0     0  0
 14 11  2  0     0  0
 15 16  1  0     0  0
M  END

$$$$
D0LW9U
  -OEChem-04152122332D

 46 45  0     0  0  0  0  0  0999 V2000
    5.1350   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3346    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 37  1  0  0  0  0
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 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
M  END

$$$$
D0LZ7E
          09181000062D 1   1.00000     0.00000     0

 42 46  0     1  0            999 V2000
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    1.1327   -7.0585    0.0000 C   0  0  0  0  0  0           0  0  0
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 10 11  1  0     0  0
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 18 23  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
  1  2  1  0     0  0
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 24 25  1  0     0  0
 10 13  1  0     0  0
 25 26  1  0     0  0
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 25 27  2  0     0  0
 26  3  1  0     0  0
 12 15  1  0     0  0
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 14 13  1  0     0  0
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 12 30  2  0     0  0
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 16 31  1  0     0  0
  2  3  1  0     0  0
 20 32  2  0     0  0
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 19 33  1  6     0  0
  8 11  2  0     0  0
 23 34  1  6     0  0
 14 17  1  0     0  0
 34 35  1  0     0  0
 15 16  2  0     0  0
 34 36  1  0     0  0
 16 19  1  0     0  0
 22 37  1  0     0  0
 18 17  1  0     0  0
 21 38  1  0     0  0
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 38 39  2  0     0  0
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 38 40  1  0     0  0
 10  9  2  0     0  0
 18 41  1  6     0  0
  9  6  1  0     0  0
 14 42  1  6     0  0
M  END

$$$$
D0M0AM
  -OEChem-10121501372D

 51 53  0     1  0  0  0  0  0999 V2000
    4.8100    1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.6354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3488    1.5966    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    3.3100    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3978    0.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2 46  1  0  0  0  0
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 11 32  1  0  0  0  0
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 16 44  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 48  1  0  0  0  0
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 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
M  CHG  1   4   1
M  END

$$$$
D0M1IO
  -OEChem-10101305022D

203206  0     1  0  0  0  0  0999 V2000
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 71 84  1  0  0  0  0
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 81 89  2  0  0  0  0
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 82180  1  0  0  0  0
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 87185  1  0  0  0  0
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 89 94  1  0  0  0  0
 89190  1  0  0  0  0
 90 95  2  0  0  0  0
 90191  1  0  0  0  0
 92 98  2  0  0  0  0
 93 99  1  0  0  0  0
 93192  1  0  0  0  0
 93193  1  0  0  0  0
 94 97  2  0  0  0  0
 94194  1  0  0  0  0
 95 97  1  0  0  0  0
 95195  1  0  0  0  0
 97197  1  0  0  0  0
 98199  1  0  0  0  0
100200  1  0  0  0  0
M  END

$$$$
D0M1PL
  -OEChem-04152110122D

 58 57  0     1  0  0  0  0  0999 V2000
    2.0000    3.3560    0.0000 Gd  0  1  0  0  0  0  0  0  0  0  0  0
    9.2124    3.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2220   -3.8671    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9914    3.2254    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6218   -3.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7654    1.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2647   -3.3578    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8164   -1.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4803    1.2471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3872   -1.3566    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.7483    1.2471    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.7483   -1.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6143    1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7483    1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4213   -1.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412    0.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7142   -0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412   -0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3463    1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3463    2.7471    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9960   -2.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3656    2.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4894   -2.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4803    3.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6133   -3.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3741    2.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5235   -2.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8991    0.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0807    0.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0128    2.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2158    2.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596   -0.8921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673   -0.0982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5362    0.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5878    1.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9134   -1.9710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6833   -2.1773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312    1.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4423    0.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2221   -0.5526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4522   -0.3463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5584    1.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3463    3.3671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2124    3.8671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  2 58  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  2  0  0  0  0
  6 28  2  0  0  0  0
  7 29  1  0  0  0  0
  8 29  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 11 24  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 26  1  0  0  0  0
 22 48  1  0  0  0  0
 23 27  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 28  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 29  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
M  CHG  4   1   3   3  -1   4  -1   7  -1
M  END

$$$$
D0M1PQ
  -OEChem-10101305022D

 29 28  0     1  0  0  0  0  0999 V2000
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    6.3301   -0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7101   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9501   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    0.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END

$$$$
D0M1VC
  -OEChem-10101305022D

 45 47  0     1  0  0  0  0  0999 V2000
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    5.5722   -1.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5722    0.9744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9001    1.4261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8250   -0.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2372   -1.0473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2779    0.2659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2779   -0.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5462   -1.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058    0.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7086    3.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1549    1.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5169    0.8379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696   -1.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1356   -1.1905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9984   -0.1521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1356    0.7139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696    0.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9984   -0.3245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441    0.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7566    2.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6716    2.8068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162    0.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2843    0.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2877    3.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4940    1.7022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0687   -3.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  1  0  0  0  0
  3 45  1  0  0  0  0
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 11  6  1  1  0  0  0
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  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  6  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  6  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D0M2MC
  -OEChem-10101305032D

 28 29  0     1  0  0  0  0  0999 V2000
    5.4641    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5422    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -0.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -1.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END

$$$$
D0M2MR
  -OEChem-10101305022D

 43 45  0     1  0  0  0  0  0999 V2000
    4.0000   -0.4615    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    0.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -2.1936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.1936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.3275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388   -2.6936    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5388   -1.6936    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4851   -2.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4851   -1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878   -1.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878   -3.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0687   -2.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -1.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5399   -3.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5399   -0.8436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2340   -3.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0224   -3.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0224   -1.0796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2340   -0.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8400   -0.8182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0508   -3.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8400   -3.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5295   -2.6083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5295   -1.7788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900   -2.7305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8100    2.6735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    3.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.6926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 35  1  0  0  0  0
  7 15  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
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  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D0M2QH
  -OEChem-10101305022D

 81 86  0     1  0  0  0  0  0999 V2000
   11.3876   -1.6432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7298   -3.1916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945   -2.6956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911    0.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6473    3.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -2.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4078    3.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022   -0.6956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740    0.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876   -0.6432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5216   -1.1432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3876    0.3568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6555   -0.6432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7455   -1.1501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7375   -2.1917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3338    0.6615    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5216    0.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3876    1.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6445    1.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0581    2.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5960    1.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304   -2.1922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5978    2.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343   -1.1922    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2702   -0.6889    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3984   -2.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4022   -1.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5304   -2.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2609   -1.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3916   -0.2182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9463    0.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9201    1.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1230    1.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4435    0.9394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0450    0.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0828   -1.5149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8712   -1.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7556   -2.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1468   -2.0692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3783   -0.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9245   -1.9532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2643   -3.5058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5980    2.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966    2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0M2XE
  -OEChem-04152110472D

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M  END

$$$$
D0M2YE
  -OEChem-10191523022D

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M  END

$$$$
D0M3CV
  -OEChem-03141904532D

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 13 26  1  0  0  0  0
M  END

$$$$
D0M3FJ
  -OEChem-10111523412D

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M  END

$$$$
D0M3MN
  -OEChem-10101305032D

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M  END

$$$$
D0M3QP
  -OEChem-10121500562D

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 39 91  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  6  0  0  0
 40 92  1  0  0  0  0
 41 93  1  0  0  0  0
 42 94  1  0  0  0  0
 42 95  1  0  0  0  0
 42 96  1  0  0  0  0
 43 44  1  0  0  0  0
 43 98  1  0  0  0  0
 44 45  1  0  0  0  0
 44 99  1  0  0  0  0
 44100  1  0  0  0  0
 45 47  1  0  0  0  0
 45101  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  6  0  0  0
 46102  1  0  0  0  0
 47103  1  0  0  0  0
 48104  1  0  0  0  0
 48105  1  0  0  0  0
 48106  1  0  0  0  0
 49 50  1  0  0  0  0
 49108  1  0  0  0  0
 50 51  1  0  0  0  0
 50109  1  0  0  0  0
 50110  1  0  0  0  0
 51 53  1  0  0  0  0
 51111  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  6  0  0  0
 52112  1  0  0  0  0
 53113  1  0  0  0  0
 54114  1  0  0  0  0
 54115  1  0  0  0  0
 54116  1  0  0  0  0
M  END

$$$$
D0M3TM
  -OEChem-04152122272D

 43 18  0     0  0  0  0  0  0999 V2000
    1.7071    5.9142    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    7.1463    2.9142    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    7.1463    9.8284    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    1.7071    4.5000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    7.1463    4.3284    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    7.1463    1.5000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    1.7071    7.3284    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    0.8411    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    5.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731    8.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    6.6213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2802    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    2.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392    2.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0123    5.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392    3.6213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8783   10.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1463    7.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463   11.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8783    8.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7071    3.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.4142    5.2071    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.0000    5.2071    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.7071    8.3284    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.0000    6.6213    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.4142    6.6213    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.1463    0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.8534    2.2071    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.4392    2.2071    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.1463    5.3284    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.4392    3.6213    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.8534    3.6213    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.0123   10.3284    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.2802    9.3284    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.2802   10.3284    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.1463    8.8284    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.1463   10.8284    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.0123    9.3284    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  8 26  3  0  0  0  0
  9 27  3  0  0  0  0
 10 28  3  0  0  0  0
 11 29  3  0  0  0  0
 12 30  3  0  0  0  0
 13 31  3  0  0  0  0
 14 32  3  0  0  0  0
 15 33  3  0  0  0  0
 16 34  3  0  0  0  0
 17 35  3  0  0  0  0
 18 36  3  0  0  0  0
 19 37  3  0  0  0  0
 20 38  3  0  0  0  0
 21 39  3  0  0  0  0
 22 40  3  0  0  0  0
 23 41  3  0  0  0  0
 24 42  3  0  0  0  0
 25 43  3  0  0  0  0
M  CHG  8   1   2   2   2   3   2   4   3   5   3   6   3   7   3  26  -1
M  CHG  8  27  -1  28  -1  29  -1  30  -1  31  -1  32  -1  33  -1  34  -1
M  CHG  8  35  -1  36  -1  37  -1  38  -1  39  -1  40  -1  41  -1  42  -1
M  CHG  1  43  -1
M  END

$$$$
D0M4VM
  -OEChem-10101305032D

 24 24  0     0  0  0  0  0  0999 V2000
    3.0000    0.9050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1340   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D0M4WA
  -OEChem-10191521162D

 74 77  0     1  0  0  0  0  0999 V2000
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   12.1212    2.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9288    0.4380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2868   -1.0688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.8750    0.7427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 24  2  1  6  0  0  0
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 28 70  1  0  0  0  0
 29 30  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
M  END

$$$$
D0M4XY
  -OEChem-10121501362D

 78 82  0     1  0  0  0  0  0999 V2000
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    4.3595    1.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 38 74  1  0  0  0  0
 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
 39 78  1  0  0  0  0
M  END

$$$$
D0M4YC
  -OEChem-10121501142D

 54 55  0     1  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END

$$$$
D0M5JI
  -OEChem-10101305032D

 55 54  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0M5OC
  -OEChem-10121500502D

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M  END

$$$$
D0M5OG
  -OEChem-08301509472D

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 24  8  1  1  0  0  0
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 31 11  1  1  0  0  0
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 29 35  1  0  0  0  0
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 30 37  1  0  0  0  0
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 38 70  1  0  0  0  0
 38 71  1  0  0  0  0
 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
M  END

$$$$
D0M5RF
  -OEChem-10101305022D

 47 50  0     1  0  0  0  0  0999 V2000
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  6  1  1  1  0  0  0
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 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D0M5YS
  -OEChem-04152122252D

  3  2  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END

$$$$
D0M6DO
  -OEChem-10121501052D

 33 34  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
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 12 25  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 31  1  0  0  0  0
M  END

$$$$
D0M6LN
          01220514562D 1   1.00000     0.00000     0

 18 16  0     1  0            999 V2000
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    0.6167   -1.2042    0.0000 O   0  0  0  0  0  0           0  0  0
    5.2417   -0.3542    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2208   -1.5625    0.0000 N   0  0  0  0  0  0           0  0  0
    0.6167    0.9208    0.0000 N   0  0  0  0  0  0           0  0  0
    0.0042    0.5625    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6083   -0.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0042   -0.1417    0.0000 C   0  0  0  0  0  0           0  0  0
  2  5  1  0     0  0
  4  1  1  0     0  0
  5  1  1  1     0  0
  6  2  2  0     0  0
  7  3  2  0     0  0
  8  4  2  0     0  0
  9  3  1  0     0  0
 10  5  1  0     0  0
 11  2  1  0     0  0
 12  3  1  0     0  0
 13  4  1  0     0  0
 14  9  1  0     0  0
 15 16  1  0     0  0
 16 18  1  0     0  0
  9 17  1  1     0  0
 18 17  1  0     0  0
M  END

$$$$
D0M6VK
  -OEChem-10191522542D

 47 50  0     1  0  0  0  0  0999 V2000
    2.0000   -1.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1803   -1.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286    0.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0780   -1.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2547    1.5017    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7325   -0.4468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9913    0.5191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0004   -1.4468    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5004   -0.5808    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4372   -1.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8560    0.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2143   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3592    2.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3412    1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8874   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8533   -0.6726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1121   -1.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5604    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3016    1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2334    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0087    1.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9746    1.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -1.2678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6868   -0.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2385   -2.4963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4130    1.8871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  9  1  1  1  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  2  0  0  0  0
  4 17  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  1  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  6  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  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  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  CHG  1   5   1
M  END

$$$$
D0M7BT
  -OEChem-10121501142D

 58 61  0     1  0  0  0  0  0999 V2000
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    4.9708    0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2798    1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5586   -0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618    1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9805   -0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
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  6  9  1  0  0  0  0
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  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 14  2  0  0  0  0
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 11 15  2  0  0  0  0
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 13 20  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 23  1  0  0  0  0
 14 38  1  0  0  0  0
 15 24  1  0  0  0  0
 15 39  1  0  0  0  0
 16 26  2  0  0  0  0
 16 40  1  0  0  0  0
 17 25  2  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 27  2  0  0  0  0
 23 54  1  0  0  0  0
 24 28  2  0  0  0  0
 24 53  1  0  0  0  0
 25 28  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
M  END

$$$$
D0M7JT
  -OEChem-10121504072D

 60 63  0     0  0  0  0  0  0999 V2000
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    2.8660    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5920   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5920   -2.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920   -2.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1746   -0.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 35  2  0  0  0  0
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 21 23  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 35  1  0  0  0  0
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 32 54  1  0  0  0  0
 33 34  1  0  0  0  0
 33 55  1  0  0  0  0
 34 56  1  0  0  0  0
M  END

$$$$
D0M7TO
  -OEChem-10121501012D

 52 56  0     0  0  0  0  0  0999 V2000
    5.4641    1.3339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7263    1.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
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 13 37  1  0  0  0  0
 15 20  1  0  0  0  0
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 17 25  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
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 20 40  1  0  0  0  0
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 21 22  2  0  0  0  0
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 21 24  1  0  0  0  0
 22 43  1  0  0  0  0
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 24 26  1  0  0  0  0
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 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 28  2  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 31  1  0  0  0  0
 28 49  1  0  0  0  0
 29 31  2  0  0  0  0
 29 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
D0M8AB
  -OEChem-10121501232D

 10  9  0     0  0  0  0  0  0999 V2000
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END

$$$$
D0M8PW
  -OEChem-04152109102D

 56 56  0     1  0  0  0  0  0999 V2000
    0.0000    0.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.3301    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  6  0  0  0
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 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D0M8RC
  -OEChem-10121500392D

 35 35  0     1  0  0  0  0  0999 V2000
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 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 33  1  0  0  0  0
M  END

$$$$
D0M8VE
  -OEChem-10121501582D

 58 61  0     0  0  0  0  0  0999 V2000
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 30 53  1  0  0  0  0
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 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D0M9BW
  -OEChem-04152109362D

 47 50  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0M9DC
  -OEChem-10121501212D

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M  END

$$$$
D0M9QK
  -OEChem-10101305022D

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 13121  1  0  0  0  0
 54 14  1  1  0  0  0
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 35 36  1  0  0  0  0
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 36 90  1  0  0  0  0
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 39 40  1  0  0  0  0
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 44100  1  0  0  0  0
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 45102  1  0  0  0  0
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 46103  1  0  0  0  0
 46104  1  0  0  0  0
 47 49  1  0  0  0  0
 47105  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  6  0  0  0
 48106  1  0  0  0  0
 49107  1  0  0  0  0
 50108  1  0  0  0  0
 50109  1  0  0  0  0
 50110  1  0  0  0  0
 51 52  1  0  0  0  0
 51112  1  0  0  0  0
 52 53  1  0  0  0  0
 52113  1  0  0  0  0
 52114  1  0  0  0  0
 53 54  1  0  0  0  0
 53115  1  0  0  0  0
 54 55  1  0  0  0  0
 54116  1  0  0  0  0
 55 56  1  6  0  0  0
 55117  1  0  0  0  0
 56118  1  0  0  0  0
 56119  1  0  0  0  0
 56120  1  0  0  0  0
 57 58  1  0  0  0  0
 58122  1  0  0  0  0
 58123  1  0  0  0  0
 58124  1  0  0  0  0
M  END

$$$$
D0M9WM
  -OEChem-10121500302D

 23 24  0     0  0  0  0  0  0999 V2000
    3.4030    1.2327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.8020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7673    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849   -1.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3850   -1.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8010    0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3368    1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  9 17  2  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 17 21  1  0  0  0  0
M  END

$$$$
D0MA7C
  SciTegic12111210002D

  3  2  0  0  0  0            999 V2000
   -0.7958    0.3958    0.0000 N   0  0
   -0.7958   -1.0375    0.0000 O   0  0
    0.4292    1.1375    0.0000 O   0  0
  2  1  1  0
  3  1  2  0
M  END

$$$$
D0MA9N
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5970   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 26  1  0  0  0  0
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  5 17  1  0  0  0  0
  5 28  1  0  0  0  0
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  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
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 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D0MB8I
  -OEChem-10101305032D

 47 50  0     1  0  0  0  0  0999 V2000
    7.7809    0.0781    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159   -1.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4208   -3.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8887   -0.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037    1.6711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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  2 14  2  0  0  0  0
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  3 39  1  0  0  0  0
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  6 21  1  0  0  0  0
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 13  8  1  1  0  0  0
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  9 20  2  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  6  0  0  0
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 11 15  1  0  0  0  0
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 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 28  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END

$$$$
D0MD2L
  -OEChem-10121501382D

 25 26  0     0  0  0  0  0  0999 V2000
    2.0000   -1.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0820    2.5080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4464    2.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6 13  1  0  0  0  0
  7 17  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D0MD8D
  -OEChem-03101900402D

 42 46  0     1  0  0  0  0  0999 V2000
   13.4184   -2.2740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1937   -2.9812    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7113   -1.0493    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5547    2.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8817   -1.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3300   -0.0140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853    0.0746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6433    1.0143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3580    0.6666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.7569    0.1578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0158    1.1237    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.2462    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5920   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2618   -0.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7795   -2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2277   -0.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4866   -1.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4525   -2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760   -0.7242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1014    0.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399   -3.0624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6662   -0.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 27  1  0  0  0  0
  3 27  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6 20  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
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  8 20  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  6  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  6  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  1  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  6  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  6  0  0  0
 15 19  1  0  0  0  0
 15 35  1  6  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
M  END

$$$$
D0MF9G
  -OEChem-04152122272D

  6  4  0     0  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
M  CHG  2   1   1   3  -1
M  END

$$$$
D0ML1F
  -OEChem-10101305032D

 66 67  0     0  0  0  0  0  0999 V2000
    7.5673   -1.0821    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1671   -3.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6745    0.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8779   -2.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   -0.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8134   -2.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1364    2.1641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -1.3928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.1819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.7914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4563   -4.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7669   -5.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4068   -4.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7818    2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206    2.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1419    0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1456   -3.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3563   -5.1040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5994   -4.6248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9961   -3.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2142   -3.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9744    1.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5892    2.7069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099    2.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  2  0  0  0  0
  1 27  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 23  1  0  0  0  0
  3 30  1  0  0  0  0
  4 24  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 29  1  0  0  0  0
  7 23  2  0  0  0  0
  8 24  2  0  0  0  0
 10 25  1  0  0  0  0
 10 28  1  0  0  0  0
 10 32  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 33  1  0  0  0  0
 13 34  2  0  0  0  0
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 14 65  1  0  0  0  0
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 16 23  1  0  0  0  0
 17 37  1  0  0  0  0
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 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
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 21 51  1  0  0  0  0
 22 35  1  0  0  0  0
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 22 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
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 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 31  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 33  2  0  0  0  0
 32 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END

$$$$
D0MM2L
  -OEChem-10101305022D

 26 27  0     1  0  0  0  0  0999 V2000
    3.2320   -1.8123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7265    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131   -3.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2735    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9230   -0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.8123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.8660    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845    0.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -1.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -1.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338   -2.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505   -2.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7775   -4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 14  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  2  0  0  0  0
  8 16  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  1  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 15 16  1  0  0  0  0
M  END

$$$$
D0MM8N
  -OEChem-10101305022D

 54 54  0     0  0  0  0  0  0999 V2000
    8.0622    5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1215   -1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    3.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    4.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    4.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    4.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    4.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -5.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -6.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -5.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 48  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3 17  2  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 49  1  0  0  0  0
 23 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

$$$$
D0MN9K
  -OEChem-04152122242D

 30 30  0     0  0  0  0  0  0999 V2000
    2.0000   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 11 16  2  0  0  0  0
 11 20  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  CHG  2   3   1   4  -1
M  END

$$$$
D0MP5H
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    4.2690    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5335    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6584    1.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5335   -0.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 11  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END

$$$$
D0MT0M
  -OEChem-10121501102D

 25 26  0     0  0  0  0  0  0999 V2000
    2.0000    0.2003    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2003    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.2936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472    3.1549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    3.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5956    1.5760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6823    2.4011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    3.1097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.5103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.1097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D0MT9X
  -OEChem-04152109132D

 35 34  0     0  0  0  0  0  0999 V2000
    5.1350    0.1550    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    2.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    0.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  2  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  2  0  0  0  0
  3 13  2  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 32  1  0  0  0  0
  5 17  1  0  0  0  0
  5 33  1  0  0  0  0
  6 20  1  0  0  0  0
  6 34  1  0  0  0  0
  7 21  1  0  0  0  0
  7 35  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 19 27  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 22 28  1  0  0  0  0
 23 25  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  CHG  3   1   2   8  -1   9  -1
M  END

$$$$
D0MU9L
  -OEChem-10101305022D

 24 24  0     1  0  0  0  0  0999 V2000
    6.0010   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  6  0  0  0
  1 21  1  0  0  0  0
  8  2  1  6  0  0  0
  2 22  1  0  0  0  0
  9  3  1  1  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  6  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END

$$$$
D0MY8N
          07160800052D 1   1.00000     0.00000     0

 40 41  0     0  0            999 V2000
  -12.7458   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   12.7458    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4125   -0.4875    0.0000 C   0  0  0  0  0  0           0  0  0
  -11.3875    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
  -14.0958    0.3208    0.0000 C   0  0  0  0  0  0           0  0  0
   14.0958   -0.4875    0.0000 C   0  0  0  0  0  0           0  0  0
   12.7458    1.8375    0.0000 C   0  0  3  0  0  0           0  0  0
  -12.7458   -2.0292    0.0000 C   0  0  3  0  0  0           0  0  0
  -10.0667   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0667    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0500   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   -6.0250    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7292   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   -8.7042    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3542   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3458    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
   -7.3708   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3708    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.6917   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6875    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0125   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0292    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6708   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6625    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
  -15.4292   -0.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4292    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
   14.0958    2.6125    0.0000 C   0  0  0  0  0  0           0  0  0
  -14.0958   -2.7917    0.0000 C   0  0  0  0  0  0           0  0  0
  -14.0958    1.8625    0.0000 C   0  0  0  0  0  0           0  0  0
   14.0958   -2.0292    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9375    3.2833    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2042    1.8375    0.0000 C   0  0  0  0  0  0           0  0  0
  -11.8667   -1.2958    0.0000 C   0  0  0  0  0  0           0  0  0
  -11.8667   -3.2792    0.0000 C   0  0  0  0  0  0           0  0  0
  -15.4292   -2.0292    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4292    1.8375    0.0000 C   0  0  0  0  0  0           0  0  0
   -8.7042    1.8625    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7292   -2.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3542   -2.0292    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3458    1.8625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3 10  2  0     0  0
  4  1  1  0     0  0
  5  1  2  0     0  0
  6  2  2  0     0  0
  7  2  1  0     0  0
  8  1  1  0     0  0
  9  4  2  0     0  0
 10 13  1  0     0  0
 11 20  2  0     0  0
 12 17  1  0     0  0
 13 18  2  0     0  0
 14  9  1  0     0  0
 15 22  2  0     0  0
 16 19  1  0     0  0
 17 14  2  0     0  0
 18 11  1  0     0  0
 19 12  2  0     0  0
 20 15  1  0     0  0
 21 16  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 21  1  0     0  0
 25  5  1  0     0  0
 26  6  1  0     0  0
 27  7  1  0     0  0
 28  8  1  0     0  0
 29  5  1  0     0  0
 30  6  1  0     0  0
 31  7  1  0     0  0
 32  7  1  0     0  0
 33  8  1  0     0  0
 34  8  1  0     0  0
 35 25  1  0     0  0
 36 26  1  0     0  0
 37 14  1  0     0  0
 38 13  1  0     0  0
 39 15  1  0     0  0
 40 16  1  0     0  0
 35 28  1  0     0  0
 36 27  1  0     0  0
M  END

$$$$
D0N0EQ
  -OEChem-04152108412D

 79 81  0     1  0  0  0  0  0999 V2000
    7.7611    0.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    1.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -0.3772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   -0.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1787    3.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495    0.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978    0.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    2.0791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    2.7993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1863    3.3662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6068    3.9402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0209    3.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3810    2.2641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5043    0.7919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1920    0.4318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8100    0.4318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2963    1.7701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4553    0.4829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0395    2.4392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5010    1.3829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1985    1.1520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9906    2.1302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -1.6560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -2.6560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -3.1560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -2.6560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.6560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9132    2.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2410    0.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374    3.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    3.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5535   -0.4374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6332    0.1855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9070   -0.1806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8356    1.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    0.2913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4921    2.7303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.9353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6592    1.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8616    2.7366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.3460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 68  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
M  END

$$$$
D0N0ES
  -OEChem-04152121562D

 14 14  0     0  0  0  0  0  0999 V2000
    3.7320    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END

$$$$
D0N0OU
  -OEChem-10121501372D

 19 19  0     0  0  0  0  0  0999 V2000
    4.5981   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 19  1  0  0  0  0
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 10 18  1  0  0  0  0
M  END

$$$$
D0N0RU
  -OEChem-10111523572D

 54 56  0     0  0  0  0  0  0999 V2000
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 13 15  2  0  0  0  0
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 18 45  1  0  0  0  0
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 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 48  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 22 24  2  0  0  0  0
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 23 25  2  0  0  0  0
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 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

$$$$
D0N0TZ
  -OEChem-10121501132D

 37 39  0     1  0  0  0  0  0999 V2000
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 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D0N1FS
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
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 27 37  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  END

$$$$
D0N1MC
  -OEChem-04152108462D

 49 52  0     1  0  0  0  0  0999 V2000
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 31 47  1  0  0  0  0
M  END

$$$$
D0N1TP
  -OEChem-10111523562D

 74 76  0     1  0  0  0  0  0999 V2000
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 29 68  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
M  END

$$$$
D0N1WU
  -OEChem-10121501162D

 42 44  0     1  0  0  0  0  0999 V2000
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 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D0N2SR
  -OEChem-10121501402D

 67 69  0     1  0  0  0  0  0999 V2000
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 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
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 15 43  1  0  0  0  0
 15 47  1  0  0  0  0
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 16 44  1  0  0  0  0
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 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 24  2  0  0  0  0
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 25 30  2  0  0  0  0
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 27 32  2  0  0  0  0
 27 57  1  0  0  0  0
 29 33  2  0  0  0  0
 29 58  1  0  0  0  0
 30 33  1  0  0  0  0
 30 59  1  0  0  0  0
 31 34  2  0  0  0  0
 31 60  1  0  0  0  0
 32 34  1  0  0  0  0
 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
M  END

$$$$
D0N3NO
  -OEChem-10101305032D

 63 63  0     1  0  0  0  0  0999 V2000
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   10.1755   -2.3261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9845   -2.9139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6755   -3.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4154   -2.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1755   -1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6723   -3.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7212   -2.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    0.1739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9075    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9075    1.6739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7736    2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7736    3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6396    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6396    4.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -3.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -3.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2695   -2.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0815   -2.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6107   -4.4815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2819   -3.9938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7065   -2.0574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9268   -2.2231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6385   -1.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812   -3.8214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1608   -3.6557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784   -1.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0123   -2.4175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326   -2.5832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    0.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3963   -3.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1196    0.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5181    0.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3706    1.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9856    1.5913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3841    2.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6870   -4.1815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5615    3.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3515    2.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8516    3.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2502    3.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2596    4.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 42  1  0  0  0  0
  2 11  2  0  0  0  0
 16  3  1  1  0  0  0
  3 55  1  0  0  0  0
  4 27  1  0  0  0  0
  4 63  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  6  0  0  0
  6 11  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  1  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 20  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  1  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
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 19 47  1  0  0  0  0
 20 24  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 26  2  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
M  END

$$$$
D0N3PE
  -OEChem-10121501162D

 36 36  0     0  0  0  0  0  0999 V2000
    3.8210    1.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9776   -1.4231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -3.1403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3774   -2.0859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210    1.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5281    1.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139    1.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5281    2.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139    2.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210    3.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3689   -2.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    1.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9815    0.6191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6 15  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
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  8 10  1  0  0  0  0
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  8 22  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
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 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END

$$$$
D0N3SP
  -OEChem-10101305032D

 42 44  0     1  0  0  0  0  0999 V2000
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  1 20  1  0  0  0  0
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  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 19  2  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 22  2  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D0N3UL
  -OEChem-10101305022D

 21 21  0     0  0  0  0  0  0999 V2000
    6.0010    1.0485    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    1.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    0.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8110    2.4515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 14  1  0  0  0  0
  5 21  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

$$$$
D0N3VR
  -OEChem-10101305032D

 39 41  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4981   -0.1428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283   -1.1404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9983   -0.7489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684    0.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3555   -1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.8407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    1.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7006    0.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5055   -2.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3 22  1  0  0  0  0
 10  4  1  1  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6 15  2  0  0  0  0
  6 24  1  0  0  0  0
  7 25  2  0  0  0  0
  8 21  2  0  0  0  0
  8 25  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  1  0  0  0
 11 15  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 33  1  0  0  0  0
 18 23  2  0  0  0  0
 19 22  2  0  0  0  0
 19 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END

$$$$
D0N3ZJ
  -OEChem-10101305022D

 64 67  0     0  0  0  0  0  0999 V2000
   13.2583    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5388    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4220    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2460   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 29  1  0  0  0  0
  3 21  1  0  0  0  0
  3 32  1  0  0  0  0
  4 27  1  0  0  0  0
  4 33  1  0  0  0  0
  5 31  1  0  0  0  0
  5 34  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 43  1  0  0  0  0
 13 16  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 18  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 46  1  0  0  0  0
 18 24  1  0  0  0  0
 18 47  1  0  0  0  0
 19 25  2  0  0  0  0
 19 49  1  0  0  0  0
 20 26  2  0  0  0  0
 20 48  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 22 50  1  0  0  0  0
 23 30  2  0  0  0  0
 23 51  1  0  0  0  0
 24 29  2  0  0  0  0
 24 52  1  0  0  0  0
 25 30  1  0  0  0  0
 25 53  1  0  0  0  0
 26 29  1  0  0  0  0
 26 54  1  0  0  0  0
 27 31  2  0  0  0  0
 28 31  1  0  0  0  0
 28 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END

$$$$
D0N4EC
  -OEChem-10111523412D

 52 54  0     1  0  0  0  0  0999 V2000
    4.2268   -0.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230    2.9275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1551   -0.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929    1.4275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8249    0.4275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    2.3754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0N4OW
  -OEChem-10111523412D

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   11.4182    0.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7618   -2.6281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 59  2  0  0  0  0
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 43 45  1  1  0  0  0
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 46 49  1  1  0  0  0
 46100  1  0  0  0  0
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 48101  1  0  0  0  0
 48102  1  0  0  0  0
 49 56  1  0  0  0  0
 49103  1  0  0  0  0
 49104  1  0  0  0  0
 50 53  1  0  0  0  0
 50105  1  0  0  0  0
 50106  1  0  0  0  0
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 52 57  1  6  0  0  0
 52107  1  0  0  0  0
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 53109  1  0  0  0  0
 55 59  1  0  0  0  0
 55 61  1  1  0  0  0
 55110  1  0  0  0  0
 56 64  1  0  0  0  0
 56111  1  0  0  0  0
 56112  1  0  0  0  0
 57 63  1  0  0  0  0
 57113  1  0  0  0  0
 57114  1  0  0  0  0
 61 65  1  0  0  0  0
 61116  1  0  0  0  0
 61117  1  0  0  0  0
 63 66  2  0  0  0  0
 63 67  1  0  0  0  0
 65 68  2  0  0  0  0
 65 69  1  0  0  0  0
 66 70  1  0  0  0  0
 66123  1  0  0  0  0
 67 71  2  0  0  0  0
 67124  1  0  0  0  0
 68 73  1  0  0  0  0
 68127  1  0  0  0  0
 69 74  2  0  0  0  0
 69128  1  0  0  0  0
 70 72  2  0  0  0  0
 70135  1  0  0  0  0
 71 72  1  0  0  0  0
 71136  1  0  0  0  0
 72137  1  0  0  0  0
 73 75  2  0  0  0  0
 73138  1  0  0  0  0
 74 75  1  0  0  0  0
 74139  1  0  0  0  0
M  END

$$$$
D0N4PZ
  -OEChem-10101305032D

 36 34  0     1  0  0  0  0  0999 V2000
    6.6906    0.1883    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.1906   -0.6778    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.0567   -2.1778    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.5567   -1.3117    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.6906   -1.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6906    0.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567   -1.1778    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6906   -0.8117    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6906    1.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246   -0.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906    1.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906    1.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6906    0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 19  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  2  0  0  0  0
  2 19  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 34  1  0  0  0  0
M  CHG  4   3   1   4   1   7  -1   8  -1
M  END

$$$$
D0N5HJ
  -OEChem-10121500482D

 49 50  0     1  0  0  0  0  0999 V2000
    6.3301    1.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9673    3.9285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    3.5684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.6551    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2242    3.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 14  1  0  0  0  0
  2 43  1  0  0  0  0
  3 14  2  0  0  0  0
  4 19  1  0  0  0  0
  4 46  1  0  0  0  0
  5 19  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
 13  7  1  1  0  0  0
 15  7  1  1  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  1  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0N5KF
  -OEChem-03101921362D

 87 90  0     1  0  0  0  0  0999 V2000
    5.8817    2.5576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   11.6041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289    1.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5811    0.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9338    0.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000    6.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   12.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5294   10.5108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1275   15.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   15.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313   13.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5841    4.5063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0N5MH
  -OEChem-03141904512D

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M  END

$$$$
D0N5YA
  -OEChem-10121501002D

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M  END

$$$$
D0N5ZS
  -OEChem-10101305022D

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M  END

$$$$
D0N6CR
  -OEChem-04152108432D

 47 47  0     0  0  0  0  0  0999 V2000
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 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END

$$$$
D0N6FH
  -OEChem-04152108522D

 44 47  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0N6RF
  -OEChem-10121500442D

 69 74  0     0  0  0  0  0  0999 V2000
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 38 68  1  0  0  0  0
M  END

$$$$
D0N6YV
          10080900062D 1   1.00000     0.00000     0

 55 59  0     1  0            999 V2000
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    2.5392    0.1213    0.0000 O   0  5  0  0  0  0           0  0  0
 17 19  1  0     0  0
 21 23  1  0     0  0
  5 25  1  1     0  0
  6 26  1  6     0  0
  7 27  1  6     0  0
  3 28  1  0     0  0
 31 30  2  0     0  0
 32 31  2  0     0  0
  3  2  2  0     0  0
  4  3  2  0     0  0
  5  6  1  0     0  0
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  5  8  1  0     0  0
  6  9  1  0     0  0
  6 10  1  0     0  0
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  7 12  1  0     0  0
  8 13  1  0     0  0
  9 14  2  0     0  0
  9 15  1  0     0  0
 10 16  1  0     0  0
 11 17  1  0     0  0
 11 18  1  1     0  0
 12 19  1  0     0  0
 14 20  1  0     0  0
 15 21  2  0     0  0
 17 22  2  0     0  0
 20 23  2  0     0  0
 23 24  1  0     0  0
 24  3  1  0     0  0
 11 16  1  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 33 36  2  0     0  0
 34 37  1  0     0  0
 34 38  1  0     0  0
 35 39  1  0     0  0
 35 40  1  0     0  0
 36 41  1  0     0  0
 37 42  2  0     0  0
 37 43  1  0     0  0
 38 44  1  0     0  0
 39 45  1  0     0  0
 39 46  1  1     0  0
 40 47  1  0     0  0
 42 48  1  0     0  0
 43 49  2  0     0  0
 45 50  2  0     0  0
 48 51  2  0     0  0
 51 52  1  0     0  0
 52 31  1  0     0  0
 39 44  1  0     0  0
 41 42  1  0     0  0
 45 47  1  0     0  0
 49 51  1  0     0  0
 34 53  1  6     0  0
 35 54  1  6     0  0
 13 14  1  0     0  0
 31 55  1  0     0  0
M  CHG  4   1   1  28  -1  29   1  55  -1
M  END

$$$$
D0N7AD
  -OEChem-10121501112D

 44 47  0     0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
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  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 16  2  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END

$$$$
D0N7AU
          01230517132D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
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    8.0917   -1.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6417   -3.7167    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.3875   -1.9792    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.9292   -2.6625    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3167   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  7  1  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  1  1  0     0  0
  6  5  1  0     0  0
  7 12  1  0     0  0
  8  6  1  0     0  0
  9  1  2  0     0  0
 10 13  1  0     0  0
 11  9  1  0     0  0
 12 21  1  0     0  0
 13 12  2  0     0  0
 14  3  1  0     0  0
 15  3  2  0     0  0
 16  4  1  0     0  0
 17  4  2  0     0  0
 18  8  1  0     0  0
 19 18  1  0     0  0
 20  8  2  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 19  2  0     0  0
 11  6  2  0     0  0
  2 10  2  0     0  0
M  CHG  4   3   1   4   1  14  -1  16  -1
M  END

$$$$
D0N8DP
  -OEChem-04152108452D

 37 40  0     0  0  0  0  0  0999 V2000
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    4.3292    1.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0046   -1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 26  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D0N8FQ
  -OEChem-10121500292D

 46 48  0     1  0  0  0  0  0999 V2000
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    1.3800    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  6  2  1  1  0  0  0
  2 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  6  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 16  1  0  0  0  0
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 14 17  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D0NA8U
  -OEChem-04152110322D

 62 63  0     1  0  0  0  0  0999 V2000
    9.7538    2.4920    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.4610    4.0731    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.3348    1.7848    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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 16  4  1  6  0  0  0
 17  5  1  6  0  0  0
  5 56  1  0  0  0  0
 21  6  1  1  0  0  0
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  9 34  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 24  1  1  0  0  0
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 16 21  1  0  0  0  0
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 20 28  1  6  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 26  1  0  0  0  0
 22 29  1  1  0  0  0
 22 30  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 33  2  0  0  0  0
 30 57  1  0  0  0  0
 31 34  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  1  0  0  0  0
 33 62  1  0  0  0  0
M  CHG  4   2   1   3   1  10  -1  11  -1
M  END

$$$$
D0ND2J
  -OEChem-10121501162D

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M  END

$$$$
D0NE9T
  -OEChem-10101305032D

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 34139  1  0  0  0  0
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 35101  1  0  0  0  0
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 37141  1  0  0  0  0
 38 97  1  0  0  0  0
 39 98  1  0  0  0  0
 40 98  2  0  0  0  0
 44100  1  0  0  0  0
 45 99  1  0  0  0  0
 46 99  2  0  0  0  0
 73 68  1  1  0  0  0
 68121  1  0  0  0  0
 90 69  1  1  0  0  0
 69133  1  0  0  0  0
 92 70  1  6  0  0  0
 70135  1  0  0  0  0
 71 72  1  0  0  0  0
 71 75  1  0  0  0  0
 71102  1  0  0  0  0
 72 73  1  0  0  0  0
 72103  1  0  0  0  0
 73 74  1  0  0  0  0
 73104  1  0  0  0  0
 74105  1  0  0  0  0
 75 88  1  6  0  0  0
 75106  1  0  0  0  0
 76 77  1  0  0  0  0
 76 83  1  0  0  0  0
 76107  1  0  0  0  0
 77 78  1  0  0  0  0
 77108  1  0  0  0  0
 78 80  1  0  0  0  0
 78109  1  0  0  0  0
 79 82  1  0  0  0  0
 79110  1  0  0  0  0
 80111  1  0  0  0  0
 81 84  1  0  0  0  0
 81 87  1  0  0  0  0
 81112  1  0  0  0  0
 82 84  1  0  0  0  0
 82113  1  0  0  0  0
 83 98  1  6  0  0  0
 83114  1  0  0  0  0
 84115  1  0  0  0  0
 85 86  1  0  0  0  0
 85 89  1  0  0  0  0
 85116  1  0  0  0  0
 86 90  1  0  0  0  0
 86117  1  0  0  0  0
 87 99  1  6  0  0  0
 87118  1  0  0  0  0
 88119  1  0  0  0  0
 88120  1  0  0  0  0
 89 97  1  6  0  0  0
 89122  1  0  0  0  0
 90 94  1  0  0  0  0
 90123  1  0  0  0  0
 91 92  1  0  0  0  0
 91124  1  0  0  0  0
 92 93  1  0  0  0  0
 92125  1  0  0  0  0
 93 95  1  0  0  0  0
 93126  1  0  0  0  0
 94127  1  0  0  0  0
 95 96  1  0  0  0  0
 95128  1  0  0  0  0
 96100  1  1  0  0  0
 96129  1  0  0  0  0
 97130  1  0  0  0  0
 97131  1  0  0  0  0
100137  1  0  0  0  0
100138  1  0  0  0  0
101142  1  0  0  0  0
101143  1  0  0  0  0
101144  1  0  0  0  0
M  CHG  8   9   1  10   1  11   1  12   1  13   1  14   1  15   1  16   1
M  CHG  8  17   1  18   1  39  -1  41  -1  45  -1  47  -1  50  -1  53  -1
M  CHG  4  56  -1  59  -1  62  -1  65  -1
M  END

$$$$
D0NF0W
  -OEChem-10191522532D

 45 48  0     1  0  0  0  0  0999 V2000
    4.6660   -2.9827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0173    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    5.5321    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2641    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3200    2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    1.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4762   -0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    0.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    1.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 16 19  1  0  0  0  0
 16 39  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D0NF1U
  -OEChem-10111523532D

 37 38  0     0  0  0  0  0  0999 V2000
    8.0622    4.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 35  1  0  0  0  0
  4 10  2  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D0NG7O
  -OEChem-10121500452D

 42 44  0     1  0  0  0  0  0999 V2000
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    8.0413   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2767    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5659    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2973    0.2107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8905    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1911   -1.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -2.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1801   -2.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3810    2.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5054    2.9866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4580    2.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6937    1.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1725    2.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4380    2.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 19  2  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 30  1  0  0  0  0
  4 12  1  0  0  0  0
  4 17  1  0  0  0  0
  4 36  1  0  0  0  0
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  5 20  1  0  0  0  0
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  6  7  1  1  0  0  0
  6 11  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
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  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  2  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
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 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D0NI0C
  -OEChem-10121500282D

 32 34  0     1  0  0  0  0  0999 V2000
    4.4026    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405    0.3892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9889    0.0818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9422    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
 10  2  1  6  0  0  0
  2 26  1  0  0  0  0
 12  3  1  1  0  0  0
  3 27  1  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
 11  5  1  6  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7 15  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  2  0  0  0  0
  9 18  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  6  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D0NJ3V
  -OEChem-10101305032D

 46 48  0     0  0  0  0  0  0999 V2000
    2.0000    0.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1777   -3.2822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9212   -2.3023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4804   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3291   -1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0610   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7930   -1.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3334   -1.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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  2 15  1  0  0  0  0
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  6 11  2  0  0  0  0
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  9 12  2  0  0  0  0
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 10 16  2  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D0NJ5H
  -OEChem-10121500482D

 46 48  0     1  0  0  0  0  0999 V2000
    8.5991    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
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  3  9  1  0  0  0  0
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  3 13  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 40  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D0NP1J
  -OEChem-10101305022D

 56 58  0     1  0  0  0  0  0999 V2000
    3.5000   -1.5724    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    4.3660   -1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889   -0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.5724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    0.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5289    0.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2917   -2.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
M  CHG  2   2   1   7  -1
M  END

$$$$
D0NR6S
  -OEChem-10121501502D

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 36 77  1  0  0  0  0
 37 78  1  0  0  0  0
M  END

$$$$
D0NS6H
  -OEChem-10121500542D

 57 60  0     1  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
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 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END

$$$$
D0NU2H
  SciTegic01161211252D

 16 16  0  0  0  0            999 V2000
    1.0667   -5.5000    0.0000 C   0  0
    2.2917   -5.4792    0.0000 C   0  0
    1.6917   -5.8417    0.0000 C   0  0
    1.6792   -4.4250    0.0000 N   0  0
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    1.0667   -4.7792    0.0000 C   0  0
    2.2792   -3.3500    0.0000 C   0  0
    1.6667   -3.7042    0.0000 C   0  0
    1.6917   -6.5542    0.0000 O   0  0
    2.9167   -5.8167    0.0000 I   0  0
    0.4625   -5.8542    0.0000 I   0  0
    2.2917   -2.6375    0.0000 O   0  0
    2.9000   -3.7042    0.0000 O   0  0
    3.5042   -3.3542    0.0000 C   0  0
    4.1292   -3.7167    0.0000 C   0  0
    4.7417   -3.3667    0.0000 C   0  0
  2  3  1  0
  3  1  1  0
  4  6  1  0
  5  4  1  0
  6  1  2  0
  7  8  1  0
  8  4  1  0
  9  3  2  0
 10  2  1  0
 11  1  1  0
 12  7  2  0
 13  7  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
  5  2  2  0
M  END

$$$$
D0NW0T
  -OEChem-03141904502D

 63 66  0     0  0  0  0  0  0999 V2000
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    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6703   -0.9807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1737   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 36  1  0  0  0  0
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 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D0NW3X
  -OEChem-10111523512D

 56 57  0     1  0  0  0  0  0999 V2000
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 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D0O0AF
  -OEChem-04152108452D

  6  2  0     0  0  0  0  0  0999 V2000
    0.8660    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 S   0  6  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
M  CHG  3   2  -2   3   1   4   1
M  END

$$$$
D0O0LS
  -OEChem-10191523002D

 75 80  0     0  0  0  0  0  0999 V2000
    3.7320   -5.3076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9584    2.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9654   -2.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5402    2.4560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1615    4.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3191   -1.5523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -4.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8724    3.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1830    4.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8294    3.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2296    1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2510    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4722    5.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5867   -0.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5393    2.0426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1325    2.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3254    3.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4898    2.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625    4.7705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5692    4.2382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3763    3.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2119    4.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693   -0.4468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4632    2.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7056    3.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1008    1.7169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5041    0.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 39  1  0  0  0  0
  2 40  1  0  0  0  0
  3 19  1  0  0  0  0
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 10 28  2  0  0  0  0
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 30 34  1  0  0  0  0
 31 32  2  0  0  0  0
 31 67  1  0  0  0  0
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 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
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 33 69  1  0  0  0  0
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 38 74  1  0  0  0  0
 39 41  1  0  0  0  0
 40 41  2  0  0  0  0
 41 75  1  0  0  0  0
M  END

$$$$
D0O1PH
  -OEChem-10101305032D

 65 63  0     0  0  0  0  0  0999 V2000
    0.5369    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9292    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0632    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6738    3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 21 55  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
M  END

$$$$
D0O1TC
  -OEChem-10101305032D

 56 55  0     0  0  0  0  0  0999 V2000
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   10.3312    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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 17 46  1  0  0  0  0
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 18 21  1  0  0  0  0
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 20 22  1  0  0  0  0
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 20 53  1  0  0  0  0
 21 22  2  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
M  END

$$$$
D0O1UZ
  -OEChem-10121500192D

 53 54  0     1  0  0  0  0  0999 V2000
    2.5369    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1198    0.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1198    3.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END

$$$$
D0O1WX
  -OEChem-10101305032D

 47 48  0     0  0  0  0  0  0999 V2000
    4.0037    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6651    7.0200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 25  1  0  0  0  0
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 23 41  1  0  0  0  0
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 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D0O2EM
  -OEChem-10101305022D

 34 37  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0O2HQ
          11051001082D 1   1.00000     0.00000     0

 31 31  0     1  0            999 V2000
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 10  9  1  0     0  0
 11  7  1  0     0  0
 12  8  1  0     0  0
 13  8  2  0     0  0
 14  7  2  0     0  0
 15 10  2  0     0  0
 16  6  1  0     0  0
 17  4  1  0     0  0
 18  5  1  0     0  0
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 23 30  1  0     0  0
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 29 21  1  0     0  0
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 31 19  1  0     0  0
  2  6  1  0     0  0
M  END

$$$$
D0O2PV
  -OEChem-04152109322D

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 15 24  2  0  0  0  0
 16 25  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 26  1  0  0  0  0
 17 28  2  0  0  0  0
 18 28  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  1  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 39  1  0  0  0  0
 29 30  1  0  0  0  0
 29 40  1  0  0  0  0
 29 41  1  0  0  0  0
M  END

$$$$
D0O2SR
  -OEChem-10111523472D

 24 24  0     0  0  0  0  0  0999 V2000
    4.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D0O2WB
  -OEChem-10101305032D

 26 26  0     0  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D0O2YE
  -OEChem-04152109222D

 45 46  0     0  0  0  0  0  0999 V2000
    2.8660   -0.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.3728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    0.8058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.3934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    2.5007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2814    0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9492   -0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6350    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9277   -0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8077    0.8016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0501    1.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7765   -0.0599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5341   -0.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4228   -0.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1805   -0.8456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1614    1.3397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4037    1.5873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -2.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -1.5681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0556   -0.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5344    0.0637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7999    0.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.3781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069    0.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    1.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9060    2.6285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8853    2.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 22  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 31  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 40  1  0  0  0  0
  5 20  2  3  0  0  0
  6 21  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 16  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 18  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D0O3AB
  -OEChem-10101305032D

 31 31  0     0  0  0  0  0  0999 V2000
    5.4641   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    0.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    1.0325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    1.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    1.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    0.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 27  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D0O3FG
  -OEChem-10121501132D

 44 45  0     1  0  0  0  0  0999 V2000
    2.6200    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    1.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    0.1340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2540   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 43  1  0  0  0  0
M  END

$$$$
D0O3OS
  -OEChem-10101305022D

 51 54  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0O3YF
  -OEChem-10101305022D

196196  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0O4EU
  -OEChem-10101305032D

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    4.0981   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9735   -2.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7171   -1.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791   -1.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227   -2.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333   -3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045   -3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 50  1  0  0  0  0
  2 26  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  2  0  0  0  0
 15 39  1  0  0  0  0
 16 21  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 23  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0O4GY
  -OEChem-04152122262D

 20 18  0     0  0  0  0  0  0999 V2000
    2.6350    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  8  2  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$
D0O4QR
  -OEChem-10101305032D

 57 58  0     1  0  0  0  0  0999 V2000
    9.3493   -1.1933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7512    0.3067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7807    1.8012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1835   -1.6889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    3.3067    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0453    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.9293    1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    2.3067    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.2153    2.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1565   -0.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3741   -3.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    3.9408    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8135    2.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2153    0.3067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9293   -1.4060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3406   -2.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9716    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9281   -0.6680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5575    0.0534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2153   -0.6933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2236   -0.6974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2236    0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8957   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6014   -1.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8852    0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5678   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025    2.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3025    1.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3437   -2.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    2.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080    1.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9266   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1133   -4.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4336   -1.5148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9846   -1.2695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8727   -0.5856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2712   -1.2759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7676   -2.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0158    1.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2187    1.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3099   -2.8509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9974    3.0727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3525    3.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432    1.6552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6914    0.9738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3728    0.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5148   -3.8836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9516   -4.6439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7118   -4.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1697   -0.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3365    0.6327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  3 32  1  0  0  0  0
  4 34  1  0  0  0  0
  4 37  1  0  0  0  0
  7 22  2  0  0  0  0
  8 27  1  0  0  0  0
  9 27  2  0  0  0  0
 10 28  2  0  0  0  0
 11 16  1  0  0  0  0
 11 39  1  0  0  0  0
 12 38  1  0  0  0  0
 13 38  2  0  0  0  0
 14 20  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 21 15  1  1  0  0  0
 15 28  1  0  0  0  0
 15 44  1  0  0  0  0
 16 29  2  0  0  0  0
 17 30  2  0  0  0  0
 17 33  1  0  0  0  0
 18 31  1  0  0  0  0
 18 37  2  0  0  0  0
 19 37  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  6  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 28 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 34  2  0  0  0  0
 32 33  2  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 47  1  0  0  0  0
 35 38  1  0  0  0  0
 35 48  1  0  0  0  0
 35 49  1  0  0  0  0
 36 50  1  0  0  0  0
 36 51  1  0  0  0  0
 36 52  1  0  0  0  0
 39 53  1  0  0  0  0
 39 54  1  0  0  0  0
 39 55  1  0  0  0  0
M  CHG  4   5   1   6   1   8  -1  12  -1
M  END

$$$$
D0O4SE
  SciTegic01161211222D

 16 16  0  0  0  0            999 V2000
    8.4372  -22.2856    0.0000 C   0  0
    8.3290  -21.4698    0.0000 N   0  0
    7.8420  -22.8517    0.0000 N   0  3
    9.2489  -22.4354    0.0000 C   0  0
    9.6360  -21.7071    0.0000 N   0  0
    6.1812  -21.1160    0.0000 S   0  0
    9.0741  -21.1118    0.0000 C   0  0
    7.6089  -21.0743    0.0000 C   0  0
    6.9013  -21.5073    0.0000 C   0  0
    8.0751  -23.6426    0.0000 O   0  5
    7.0511  -22.6187    0.0000 O   0  0
    6.5725  -20.3917    0.0000 O   0  0
    5.7899  -21.8360    0.0000 O   0  0
    5.4569  -20.7206    0.0000 C   0  0
    9.2239  -20.3001    0.0000 C   0  0
    4.7577  -21.1492    0.0000 C   0  0
  2  1  1  0
  3  1  1  0
  4  1  2  0
  5  4  1  0
  6  9  1  0
  7  2  1  0
  8  2  1  0
  9  8  1  0
 10  3  1  0
 11  3  2  0
 12  6  2  0
 13  6  2  0
 14  6  1  0
 15  7  1  0
 16 14  1  0
  5  7  2  0
M  CHG  2   3   1  10  -1
M  END

$$$$
D0O5AG
  -OEChem-03101900402D

 63 68  0     1  0  0  0  0  0999 V2000
    6.8290    4.6185    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0038    5.1365    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4916    3.7549    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950    0.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3290   -1.5721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806   -1.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988   -0.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -3.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -4.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3290    1.4279    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1950   -0.0721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0O5FY
  -OEChem-10101305022D

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M  END

$$$$
D0O5LA
  -OEChem-04152109182D

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 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D0O5LU
  -OEChem-10101305032D

 56 59  0     1  0  0  0  0  0999 V2000
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 31 34  2  0  0  0  0
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 36 53  1  0  0  0  0
 36 54  1  0  0  0  0
 36 55  1  0  0  0  0
M  END

$$$$
D0O5NK
  -OEChem-10101305032D

 50 50  0     1  0  0  0  0  0999 V2000
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 17 20  1  0  0  0  0
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 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END

$$$$
D0O5SZ
  -OEChem-04152108422D

 46 47  0     1  0  0  0  0  0999 V2000
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  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 22  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$
D0O5TQ
  -OEChem-04152109052D

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 52100  1  0  0  0  0
 53 54  1  0  0  0  0
 53101  1  0  0  0  0
 54103  1  0  0  0  0
M  END

$$$$
D0O5WD
  -OEChem-04152109002D

445451  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0O5WP
  -OEChem-10121500582D

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M  END

$$$$
D0O5YZ
  -OEChem-04152109322D

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M  END

$$$$
D0O6GC
  -OEChem-10111523262D

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    2.8680    1.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282    3.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9952   -0.1419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3339   -0.4786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4474    0.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8399    1.5107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  2  0  0  0  0
  2 25  1  0  0  0  0
  2 53  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 23  1  0  0  0  0
  5 18  1  0  0  0  0
 22  5  1  1  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  1  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  1  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 20  2  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END

$$$$
D0O6IU
  -OEChem-10121500302D

 25 25  0     1  0  0  0  0  0999 V2000
    2.8660    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  1  0  0  0
  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END

$$$$
D0O6IZ
  -OEChem-10121500382D

 30 32  0     0  0  0  0  0  0999 V2000
    2.6691   -0.7594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.1606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    0.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608   -1.2487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0457    0.5239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2015   -0.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.9539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    2.1439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2015    2.9885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    0.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    2.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 23  1  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D0O6KE
          01210517122D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
    5.0042   -3.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4000   -2.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -3.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4000   -4.2125    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7792   -3.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7792   -3.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4000   -2.0875    0.0000 O   0  0  0  0  0  0           0  0  0
    5.6250   -2.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -1.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6250   -2.0875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1667   -4.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -1.0250    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1667   -2.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6250   -4.2125    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2375   -3.1500    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5542   -3.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4000   -0.6667    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5542   -3.1500    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.0792   -0.6667    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  2  1  0     0  0
  7  2  1  0     0  0
  8  1  1  0     0  0
  9 10  2  0     0  0
 10  8  1  0     0  0
 11  5  1  0     0  0
 12  9  1  0     0  0
 13  6  1  0     0  0
 14  3  2  0     0  0
 15  8  2  0     0  0
 16 11  2  0     0  0
 17 12  2  0     0  0
 18 13  2  0     0  0
 19 12  1  0     0  0
 20 19  1  0     0  0
 21 11  1  0     0  0
 22 16  1  0     0  0
 23 20  1  0     0  0
 24 23  1  0     0  0
 25 24  1  0     0  0
 26 24  1  0     0  0
  6  5  2  0     0  0
  9  7  1  0     0  0
 18 16  1  0     0  0
M  END

$$$$
D0O6OZ
  -OEChem-02061504242D

  2  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 I   4  5  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1  -1   2   1
M  ISO  1   1 131
M  END

$$$$
D0O6SX
  -OEChem-10121501172D

 53 55  0     1  0  0  0  0  0999 V2000
    2.0000   -5.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0O6UY
  -OEChem-03141904512D

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M  END

$$$$
D0O6UZ
  -OEChem-10101305032D

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M  END

$$$$
D0O7DG
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 96181  1  0  0  0  0
M  END

$$$$
D0O7JW
  -OEChem-10121501412D

 44 47  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0O7SP
  -OEChem-04152108492D

 55 57  0     1  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 55  1  0  0  0  0
M  END

$$$$
D0O8DI
  -OEChem-10101305032D

  3  2  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  2   1  -1   2   1
M  END

$$$$
D0O8GK
  -OEChem-04152111282D

 70 73  0     1  0  0  0  0  0999 V2000
    5.9209    0.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921   -0.5405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5028    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4813    0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1491   -0.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0844    2.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0276    1.7437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 29  2  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
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 20 44  1  0  0  0  0
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 22 47  1  0  0  0  0
 23 32  1  0  0  0  0
 24 30  1  0  0  0  0
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 25 31  1  0  0  0  0
 25 49  1  0  0  0  0
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 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
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 28 59  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
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 35 65  1  0  0  0  0
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 35 67  1  0  0  0  0
 36 37  2  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
M  END

$$$$
D0O8IS
  -OEChem-04152108582D

 47 49  0     1  0  0  0  0  0999 V2000
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    2.8660    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
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 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
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 16 20  1  0  0  0  0
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 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D0O8JB
  -OEChem-10191522542D

434435  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0O8SJ
  -OEChem-04152111282D

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M  END

$$$$
D0OB0F
  -OEChem-10121500422D

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M  END

$$$$
D0OB1J
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M  END

$$$$
D0OB2M
  -OEChem-10121501202D

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 15 22  1  0  0  0  0
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 29 37  1  0  0  0  0
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 33100  1  0  0  0  0
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 34101  1  0  0  0  0
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 35103  1  0  0  0  0
 36 44  1  0  0  0  0
 36104  1  0  0  0  0
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 39105  1  0  0  0  0
 40 45  1  0  0  0  0
 40106  1  0  0  0  0
 41107  1  0  0  0  0
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 42110  1  0  0  0  0
 43 46  2  0  0  0  0
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 47 54  1  0  0  0  0
 47112  1  0  0  0  0
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 49 52  2  0  0  0  0
 49114  1  0  0  0  0
 50 51  2  0  0  0  0
 50113  1  0  0  0  0
 51 55  1  0  0  0  0
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 53 55  2  0  0  0  0
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 57 63  1  0  0  0  0
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 59118  1  0  0  0  0
 59119  1  0  0  0  0
 59120  1  0  0  0  0
 60115  1  0  0  0  0
 60116  1  0  0  0  0
 60117  1  0  0  0  0
 61121  1  0  0  0  0
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 61123  1  0  0  0  0
 62124  1  0  0  0  0
 62125  1  0  0  0  0
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 63 65  1  0  0  0  0
 63127  1  0  0  0  0
 63128  1  0  0  0  0
 64 66  1  0  0  0  0
 64129  1  0  0  0  0
 64130  1  0  0  0  0
 65 74  1  0  0  0  0
 65133  1  0  0  0  0
 65134  1  0  0  0  0
 66 73  1  0  0  0  0
 66131  1  0  0  0  0
 66132  1  0  0  0  0
 67138  1  0  0  0  0
 67139  1  0  0  0  0
 67140  1  0  0  0  0
 68135  1  0  0  0  0
 68136  1  0  0  0  0
 68137  1  0  0  0  0
 69144  1  0  0  0  0
 69145  1  0  0  0  0
 69146  1  0  0  0  0
 70141  1  0  0  0  0
 70142  1  0  0  0  0
 70143  1  0  0  0  0
 71147  1  0  0  0  0
 71148  1  0  0  0  0
 71149  1  0  0  0  0
 72150  1  0  0  0  0
 72151  1  0  0  0  0
 72152  1  0  0  0  0
 73 74  2  0  0  0  0
 73154  1  0  0  0  0
 74153  1  0  0  0  0
M  CHG  2  15   1  16   1
M  END

$$$$
D0OD2I
  -OEChem-03141904472D

 71 75  0     1  0  0  0  0  0999 V2000
   12.0799    3.5192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    3.7409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320    3.7409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7320    4.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -3.7129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -4.6640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3198    5.4160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2320    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    4.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320    5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7320    4.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551   -3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -4.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3198    3.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763   -5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2709    4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2709    5.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.9575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.9575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    3.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1120    4.6069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    4.3609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    3.7409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    3.1209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    5.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1282    3.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7725    5.4714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  2  0  0  0  0
  4 19  1  0  0  0  0
 21  4  1  1  0  0  0
  4 49  1  0  0  0  0
  5 20  2  0  0  0  0
  5 23  1  0  0  0  0
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  7 61  1  0  0  0  0
  8 30  1  0  0  0  0
  8 33  2  0  0  0  0
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  9 33  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  2  0  0  0  0
 11 35  1  0  0  0  0
 11 66  1  0  0  0  0
 12 39  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
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 14 20  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 27  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 31  2  0  0  0  0
 29 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 33  1  0  0  0  0
 31 64  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 65  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 38 39  1  0  0  0  0
 39 71  1  0  0  0  0
M  END

$$$$
D0OG3K
          01121100062D 1   1.00000     0.00000     0

 21 21  0     0  0            999 V2000
   -0.9931    1.0483    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1345    1.5724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9931    0.0414    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8103    1.5310    0.0000 N   0  0  0  0  0  0           0  0  0
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   -0.1345    2.5690    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.1069   -0.4621    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6586    1.0172    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7621    0.0414    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6690    1.5103    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.1138   -1.4483    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4897    1.5034    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6690    0.0414    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5172    1.0172    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1138   -2.5034    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.2172    0.9414    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.4897    2.3414    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.5069    0.0138    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2724    1.0379    0.0000 O   0  0  0  0  0  0           0  0  0
    3.3655    2.5069    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
  7 11  1  0     0  0
  8 12  1  0     0  0
  8 13  2  0     0  0
 10 14  1  0     0  0
 11 15  3  0     0  0
 12 16  1  0     0  0
 12 17  2  0     0  0
 14 18  1  0     0  0
 14 19  2  0     0  0
 18 20  1  0     0  0
 18 21  2  0     0  0
  7  9  1  0     0  0
M  END

$$$$
D0OG5K
  -OEChem-04152110362D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Bi  0  0  0  0  0 15  0  0  0  0  0  0
M  END

$$$$
D0OG8A
  -OEChem-04152110392D

 89 93  0     1  0  0  0  0  0999 V2000
    3.5548   14.6744    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732    7.1648    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8827    9.4678    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3638   15.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8898   12.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1947   11.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420   11.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    9.6680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1566    5.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1217    8.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282    4.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8827   10.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8827    9.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8827    9.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037   13.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1426   13.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037   14.3654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5548   13.0564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5955   14.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0OJ4L
  -OEChem-10121501172D

 49 50  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0OK5I
  -OEChem-10101305022D

 59 60  0     1  0  0  0  0  0999 V2000
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    1.8334   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3881   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3926   -0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7023   -0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1994   -1.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980   -2.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980    0.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1994    0.0263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8469   -1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2130   -2.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860   -1.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2130    0.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    1.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7130    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 45  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 18  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 46  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 47  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 21  1  0  0  0  0
 19 55  1  0  0  0  0
 20 22  2  0  0  0  0
 20 56  1  0  0  0  0
 21 23  2  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 23 59  1  0  0  0  0
M  CHG  1   2   1
M  END

$$$$
D0OK5Q
  -OEChem-10101305032D

 54 55  0     0  0  0  0  0  0999 V2000
    2.4335    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9335    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.1350    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    4.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    4.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    9.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   10.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   10.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    5.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    5.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    5.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    5.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    6.5274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    7.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    7.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    6.5274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720    3.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    3.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9450    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1720    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.5150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    9.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    9.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.5150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    8.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   10.7550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   10.7550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    9.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7025    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 14  2  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 42  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
 19 23  2  0  0  0  0
 19 44  1  0  0  0  0
 20 24  2  0  0  0  0
 20 45  1  0  0  0  0
 21 25  2  0  0  0  0
 21 46  1  0  0  0  0
 22 26  2  0  0  0  0
 22 47  1  0  0  0  0
 23 25  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 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END

$$$$
D0OL6O
  -OEChem-10101305022D

 21 20  0     0  0  0  0  0  0999 V2000
    7.7331   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2891    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  2  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END

$$$$
D0OL7F
  -OEChem-10101305022D

 44 45  0     1  0  0  0  0  0999 V2000
    6.2633   -0.5526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -2.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7222    1.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4543    4.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7176   -3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5883    2.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D0OR2L
  -OEChem-10121500472D

 69 72  0     1  0  0  0  0  0999 V2000
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 28 29  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
M  END

$$$$
D0OR6A
  -OEChem-04152109142D

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 26 67  1  0  0  0  0
 27 28  1  0  0  0  0
 27 68  1  0  0  0  0
 28 69  1  0  0  0  0
M  END

$$$$
D0OT0O
  -OEChem-10101305022D

 10  6  0     0  0  0  0  0  0999 V2000
    3.7320   -0.3170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2320   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  CHG  6   2   1   3   1   4   1   5  -1   6  -1   8  -1
M  END

$$$$
D0OT9S
  -OEChem-10101305032D

113121  0     1  0  0  0  0  0999 V2000
    9.6658    6.2989    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 58112  1  0  0  0  0
 59113  1  0  0  0  0
M  END

$$$$
D0OY9S
  -OEChem-04152122312D

 37 39  0     0  0  0  0  0  0999 V2000
    4.6497    3.3798    0.0000 I   4  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
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  8 33  1  0  0  0  0
 11 16  1  0  0  0  0
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 13 23  2  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 20  2  0  0  0  0
 17 24  1  0  0  0  0
 18 21  1  0  0  0  0
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 19 22  1  0  0  0  0
 19 26  2  0  0  0  0
 20 23  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  2  0  0  0  0
 22 29  2  0  0  0  0
 24 30  2  0  0  0  0
 25 31  1  0  0  0  0
 25 36  1  0  0  0  0
 26 32  1  0  0  0  0
 26 37  1  0  0  0  0
 27 33  2  0  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  2  0  0  0  0
M  CHG  4   9   1  10   1  14  -1  15  -1
M  ISO  4   1 131   2 131   3 131   4 131
M  END

$$$$
D0P0HB
  -OEChem-10101305022D

 21 21  0     0  0  0  0  0  0999 V2000
    2.8660    1.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END

$$$$
D0P0HT
  -OEChem-10121501072D

 56 59  0     1  0  0  0  0  0999 V2000
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  9  1  1  6  0  0  0
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 12  3  1  1  0  0  0
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 23 49  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END

$$$$
D0P0OE
  -OEChem-04152110102D

 47 49  0     1  0  0  0  0  0999 V2000
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  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 32  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  1  0  0  0  0
  8 25  2  0  0  0  0
  9 26  2  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 11 18  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 19 12  1  1  0  0  0
 12 26  1  0  0  0  0
 12 38  1  0  0  0  0
 13 27  2  0  0  0  0
 14 28  1  0  0  0  0
 14 32  2  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  6  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 41  1  0  0  0  0
 31 42  1  0  0  0  0
 33 43  1  0  0  0  0
 33 44  1  0  0  0  0
 33 45  1  0  0  0  0
M  CHG  2   5   1   7  -1
M  END

$$$$
D0P0OU
  -OEChem-10191523082D

 58 62  0     0  0  0  0  0  0999 V2000
   16.6645   -0.1404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.4370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.9537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    0.0396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    0.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4660    0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3262   -0.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1980    0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0621    0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2019    1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9301    0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2676   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0698    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9339    1.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2559   -1.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4920    0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3882    0.6297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9871   -0.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0579   -1.9305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8550   -1.9336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5360   -1.5438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9372   -0.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8664    1.0163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0693    1.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3259   -1.9238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1229   -1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -0.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5939   -1.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3909   -1.9202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    1.8483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5305   -0.4670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8517   -1.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0722    2.6529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5638   -1.5847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  1 22  1  0  0  0  0
  2 17  1  0  0  0  0
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  3 30  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  6 25  1  0  0  0  0
  6 30  1  0  0  0  0
  6 56  1  0  0  0  0
  7 10  1  0  0  0  0
  7 34  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 43  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  2  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D0P0QK
  -OEChem-04152122232D

 16 14  0     1  0  0  0  0  0999 V2000
    1.3360    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.1200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6720    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END

$$$$
D0P0RX
  -OEChem-10101305022D

 52 55  0     1  0  0  0  0  0999 V2000
    6.8834   -1.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3972   -0.1111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.2651    0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8032    0.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9572    0.9237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  1 27  1  0  0  0  0
  2 25  2  0  0  0  0
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  3 52  1  0  0  0  0
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 12  7  1  6  0  0  0
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  8  9  1  0  0  0  0
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 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 35  1  0  0  0  0
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 16 20  2  0  0  0  0
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 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 41  1  0  0  0  0
 20 24  1  0  0  0  0
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 22 24  2  0  0  0  0
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 23 26  1  0  0  0  0
 24 46  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END

$$$$
D0P0SM
  -OEChem-10101305022D

 48 50  0     0  0  0  0  0  0999 V2000
    4.4487   -0.6311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487    0.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -1.4971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0P0SZ
  -OEChem-10101305022D

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M  END

$$$$
D0P0VD
  CDK    9/16/09,9:55

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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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  5  6  1  0  0  0  0 
  2  6  1  0  0  0  0 
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  8  9  2  0  0  0  0 
  8 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
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 11 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 18 19  1  0  0  0  0 
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 30 31  1  0  0  0  0 
 31 32  2  0  0  0  0 
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 33 34  2  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  2  0  0  0  0 
 31 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 34 38  1  0  0  0  0 
M  ENDM  END

$$$$
D0P0WV
  -OEChem-04152122322D

 48 47  0     0  0  0  0  0  0999 V2000
   10.5109    5.8174    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    4.3174    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7320    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5109    4.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5109    4.1974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
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 13 16  1  0  0  0  0
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 13 20  1  0  0  0  0
 14 20  1  0  0  0  0
 14 23  1  0  0  0  0
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 18 21  1  0  0  0  0
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 19 39  1  0  0  0  0
 21 40  1  0  0  0  0
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 22 26  2  0  0  0  0
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 28 30  2  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 31 48  1  0  0  0  0
M  CHG  2   7   1  10  -1
M  END

$$$$
D0P1FO
  -OEChem-10101305022D

 53 55  0     1  0  0  0  0  0999 V2000
    8.9942   -2.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2458    0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.6016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.8602   -1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7702   -0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7783    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9781    0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5931   -1.0323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9748   -0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9918    1.5289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
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 14 18  1  0  0  0  0
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 18 41  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END

$$$$
D0P1IZ
  -OEChem-04152108502D

 63 62  0     1  0  0  0  0  0999 V2000
    2.0000    3.0109    0.0000 Gd  0  1  0  0  0  0  0  0  0  0  0  0
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    7.8094    2.0921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6153    1.0921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 20  2  1  6  0  0  0
  2 61  1  0  0  0  0
  3 23  1  0  0  0  0
  3 62  1  0  0  0  0
  4 26  1  0  0  0  0
  4 63  1  0  0  0  0
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 10 32  2  0  0  0  0
 11 15  1  0  0  0  0
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 12 27  1  0  0  0  0
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 14 24  1  0  0  0  0
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 20 26  1  0  0  0  0
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 21 24  1  0  0  0  0
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 21 44  1  0  0  0  0
 22 25  1  0  0  0  0
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 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 30  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 31  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 32  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
M  CHG  4   1   3   5  -1   6  -1   9  -1
M  END

$$$$
D0P1RL
  -OEChem-04152110442D

 60 60  0     1  0  0  0  0  0999 V2000
    2.8660   -7.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5422    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    3.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2520    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101   -2.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1403    5.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  2 58  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
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  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 15  1  0  0  0  0
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 10 38  1  0  0  0  0
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 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 19  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 18  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 20  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 56  1  0  0  0  0
 22 24  2  0  0  0  0
 22 57  1  0  0  0  0
 23 25  2  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
M  ISO  1   1 123
M  END

$$$$
D0P1UX
  -OEChem-10121501272D

 47 48  0     1  0  0  0  0  0999 V2000
    2.6200    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    1.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1 34  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
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  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 14 18  2  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END

$$$$
D0P1WA
  -OEChem-10121500142D

 48 52  0     1  0  0  0  0  0999 V2000
    4.1496   -0.5118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7002    0.4420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7459   -1.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657   -1.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    0.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1514   -1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4912    1.2921    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.0134   -0.6564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7546    0.3095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7455   -1.6564    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2455   -0.7904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3087   -1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900   -0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5316   -1.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3867    2.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4048    1.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8586   -0.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9267   -1.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6338    0.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5683   -2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2631    0.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5697   -2.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    1.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3109   -1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526    1.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2334   -1.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5346    1.1305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4355   -2.1934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5555   -0.2535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6904   -2.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8665   -2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7701    2.2218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  1 25  1  0  0  0  0
  2 20  1  0  0  0  0
  2 26  1  0  0  0  0
 10  3  1  1  0  0  0
 11  3  1  1  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  5 17  2  0  0  0  0
  6 18  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  1  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  6  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  CHG  1   7   1
M  END

$$$$
D0P2AG
  -OEChem-10101305022D

 49 50  0     1  0  0  0  0  0999 V2000
    6.8671    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4040    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3110   -2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1360   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  1  0  0  0
  1 40  1  0  0  0  0
  2 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3 22  1  0  0  0  0
  3 45  1  0  0  0  0
  4 24  2  0  0  0  0
  7  5  1  1  0  0  0
  5  9  1  0  0  0  0
  5 31  1  0  0  0  0
  6 18  1  0  0  0  0
  6 24  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 36  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  0  0  0  0
 16 21  2  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 39  1  0  0  0  0
 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0P2CK
  -OEChem-10121501402D

 32 35  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5391    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8374   -1.8661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374    0.3246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235   -2.1525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9517   -3.0275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -1.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7139   -0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3374    0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7384   -1.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609   -0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1839   -2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7234   -0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734   -2.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9063    1.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0851    2.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END

$$$$
D0P2CS
  -OEChem-04152109252D

 86 87  0     0  0  0  0  0  0999 V2000
   20.3089   -4.2892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.0409   -1.2892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.7892    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   21.1749   -5.7892    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   23.7730   -1.2892    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2892    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.5605   -0.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125    0.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3089   -5.2892    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    5.2892    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.3089   -4.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3089   -4.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4641    4.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9070   -0.7892    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   22.5409   -2.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7788   -1.2650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8622    1.7617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4429   -1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4429   -2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3089   -3.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3089   -1.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1749   -1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1749   -2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5489   -1.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5489   -3.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    3.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6429   -1.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6429   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3185   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4544    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1788   -1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0467   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3147   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1865    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5865   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0506   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1749   -2.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    2.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7118   -3.0992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.0992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5561   -3.9438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    3.9438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1071   -3.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    3.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7720    0.0208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8458    0.0208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.0208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7766   -1.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9964    1.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0272    0.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   -0.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1889    0.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5841   -0.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5887    0.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1843   -0.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5549   -2.7526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1725   -3.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7949   -2.7574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2181    2.7526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6005    3.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9781    2.7574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  2  0  0  0  0
  1 14  2  0  0  0  0
  1 33  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  2  0  0  0  0
  2 16  2  0  0  0  0
  2 34  1  0  0  0  0
  3 17  1  0  0  0  0
  3 19  2  0  0  0  0
  3 20  2  0  0  0  0
  3 37  1  0  0  0  0
  4 18  1  0  0  0  0
  4 21  2  0  0  0  0
  4 22  2  0  0  0  0
  4 38  1  0  0  0  0
  9 41  1  0  0  0  0
  9 75  1  0  0  0  0
 10 42  1  0  0  0  0
 10 76  1  0  0  0  0
 23 35  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 24 36  1  0  0  0  0
 24 71  1  0  0  0  0
 24 72  1  0  0  0  0
 25 27  2  0  0  0  0
 25 45  1  0  0  0  0
 26 28  2  0  0  0  0
 26 46  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 35  1  0  0  0  0
 29 41  1  0  0  0  0
 30 32  2  0  0  0  0
 30 36  1  0  0  0  0
 30 42  1  0  0  0  0
 31 33  1  0  0  0  0
 31 43  1  0  0  0  0
 32 34  1  0  0  0  0
 32 44  1  0  0  0  0
 33 39  2  0  0  0  0
 34 40  2  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 63  1  0  0  0  0
 40 64  1  0  0  0  0
 41 45  2  0  0  0  0
 42 46  2  0  0  0  0
 43 47  2  0  0  0  0
 43 65  1  0  0  0  0
 44 48  2  0  0  0  0
 44 66  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 67  1  0  0  0  0
 48 68  1  0  0  0  0
 49 50  1  0  0  0  0
 49 55  2  0  0  0  0
 49 57  1  0  0  0  0
 50 56  2  0  0  0  0
 50 58  1  0  0  0  0
 51 53  2  0  0  0  0
 51 55  1  0  0  0  0
 51 61  1  0  0  0  0
 52 54  2  0  0  0  0
 52 56  1  0  0  0  0
 52 62  1  0  0  0  0
 53 59  1  0  0  0  0
 54 60  1  0  0  0  0
 55 73  1  0  0  0  0
 56 74  1  0  0  0  0
 57 59  2  0  0  0  0
 57 77  1  0  0  0  0
 58 60  2  0  0  0  0
 58 78  1  0  0  0  0
 59 79  1  0  0  0  0
 60 80  1  0  0  0  0
 61 81  1  0  0  0  0
 61 82  1  0  0  0  0
 61 83  1  0  0  0  0
 62 84  1  0  0  0  0
 62 85  1  0  0  0  0
 62 86  1  0  0  0  0
M  CHG  8   5   1   6   1   7   1   8   1  11  -1  12  -1  17  -1  18  -1
M  END

$$$$
D0P2GK
          04030700072D 1   1.00000     0.00000     0

 13 12  0     0  0            999 V2000
   -1.1414   -0.1621    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4172   -0.5793    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8517   -0.5759    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1414    0.6655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3000   -0.1655    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5690   -0.1655    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8483    1.0759    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0138   -0.5793    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5690    0.6621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7310   -0.1655    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4517   -0.5793    0.0000 O   0  5  0  0  0  0           0  0  0
    1.7310    0.6621    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3069   -0.0966    0.0000 Na  0  3  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  6  9  1  0     0  0
  8 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  7  9  2  0     0  0
M  CHG  2  11  -1  13   1
M  END

$$$$
D0P2IT
  -OEChem-04152110362D

145152  0     1  0  0  0  0  0999 V2000
   21.8779    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8456    0.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0774    4.2918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.9824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.4824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.4824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.4824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3390    0.9826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2011    0.4760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1150    0.9758    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4691    0.4893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1311    2.0173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3309    2.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4614   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    2.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0707    2.5598    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5634   -1.0384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1934   -0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0375    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5793    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -0.5176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7021    1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6693    0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0061    2.0101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.9894    0.9252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3236   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0996   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1343    1.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5801   -2.1233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7134   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6447   -2.6730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.5740    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5740    3.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7050   -2.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4518   -2.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6485   -3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0632    0.9824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972    1.4824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312   -0.0176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    0.9824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.0176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991   -3.0176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -3.5176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671   -2.0176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.1350   -3.0176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4030   -3.0176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.5176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -2.0176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.9306    0.0397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1174    2.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6340    3.0180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 67142  1  0  0  0  0
M  END

$$$$
D0P2IW
  -OEChem-04152108572D

 51 51  0     1  0  0  0  0  0999 V2000
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 10  1  1  6  0  0  0
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M  END

$$$$
D0P2YD
  SciTegic01161211252D

 38 39  0  0  0  0            999 V2000
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   -0.7208   -0.2000    0.0000 C   0  0
    1.7500   -0.2167    0.0000 C   0  0
    1.1292   -0.5792    0.0000 C   0  0
   -2.5708    0.8833    0.0000 N   0  3
   -1.9500    0.5208    0.0000 C   0  0
   -1.3333   -0.5417    0.0000 C   0  0
   -0.7208    0.4958    0.0000 C   0  0
   -1.3708    0.8625    0.0000 C   0  0
   -1.9583   -0.1792    0.0000 C   0  0
   -0.7458    1.2083    0.0000 O   0  5
    2.9708   -0.2208    0.0000 O   0  5
    1.1125    0.8583    0.0000 C   0  0
    0.2542    1.4708    0.0000 O   0  0
   -0.4708    0.2333    0.0000 O   0  0
    2.7042   -1.1875    0.0000 O   0  0
    2.0000   -1.1875    0.0000 O   0  0
   -0.1208   -1.2917    0.0000 C   0  0
   -0.0833   -2.7042    0.0000 C   0  0
    1.7667    0.4708    0.0000 C   0  0
   -0.0583   -3.4292    0.0000 N   0  0
   -0.7333   -1.6417    0.0000 C   0  0
    0.5042   -1.6542    0.0000 C   0  0
    0.5042   -2.3667    0.0000 C   0  0
   -0.7208   -2.3500    0.0000 C   0  0
   -3.1750    0.5500    0.0000 C   0  0
   -2.5583    1.6000    0.0000 C   0  0
    3.9375   -0.2417    0.0000 Na  0  3
    0.5542   -3.7792    0.0000 C   0  0
   -0.6458   -3.8125    0.0000 C   0  0
   -3.1625    1.9708    0.0000 C   0  0
   -3.7833    0.9208    0.0000 C   0  0
    1.2000   -3.4875    0.0000 C   0  0
   -1.2750   -3.4917    0.0000 C   0  0
  2  7  1  0
  3  4  1  0
  4  1  1  0
  5  3  1  0
  6  5  2  0
  7  8  1  0
  8  3  2  0
  9 10  2  0
 10 13  1  0
 11  6  1  0
 12  6  1  0
 13 12  2  0
 14 11  2  0
 15  1  1  0
 16  2  1  0
 17  4  2  0
 18  1  2  0
 19  1  2  0
 20  2  2  0
 21  2  2  0
 22  5  1  0
 23 29  2  0
 24 17  1  0
 25 23  1  0
 26 22  2  0
 27 22  1  0
 28 27  2  0
 29 26  1  0
 30  9  1  0
 31  9  1  0
 33 25  1  0
 34 25  1  0
 35 31  1  0
 36 30  1  0
 37 33  1  0
 38 34  1  0
 24  7  2  0
 23 28  1  0
 10 14  1  0
M  CHG  4   9   1  15  -1  16  -1  32   1
M  ENDM  END

$$$$
D0P2YU
  -OEChem-10101305022D

 48 50  0     1  0  0  0  0  0999 V2000
    6.7619    1.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.5976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    0.0976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6783    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.2685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2619   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220    1.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220   -0.7477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    1.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.9692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -0.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -0.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.6802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.9899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.2052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.4851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -0.4805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -0.8790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519   -0.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -1.3466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -1.7451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -2.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    0.2685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    2.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719   -2.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719    0.2685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8819   -1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 17  1  0  0  0  0
  2 45  1  0  0  0  0
  3 17  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  1  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  2  0  0  0  0
 20 44  1  0  0  0  0
 21 23  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

$$$$
D0P3JU
  -OEChem-10121501402D

 33 35  0     1  0  0  0  0  0999 V2000
    8.9747   -0.1360    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9304   -2.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.2941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288   -2.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -0.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3106   -0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288   -0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3106   -1.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -1.1602    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7513    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -2.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2046   -0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2046   -2.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1106   -0.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1106   -1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7069    1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0183    1.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    2.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2408    2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1964    2.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901   -0.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6668   -2.8881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1974    0.4945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1974   -2.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6464   -1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1614    0.8113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4258    1.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5219    2.3907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7863    3.0151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3343    3.4926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 12  2  0  0  0  0
  3 19  1  0  0  0  0
  3 33  1  0  0  0  0
  4 19  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 17 28  1  0  0  0  0
 18 21  2  0  0  0  0
 18 29  1  0  0  0  0
 20 22  2  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END

$$$$
D0P4MT
  -OEChem-10101305032D

 41 42  0     1  0  0  0  0  0999 V2000
    2.8660    1.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1396    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -1.1742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.6671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1396    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.6604    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2641    0.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605   -1.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732    0.9649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7517    1.3741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534    1.3649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7278   -1.6372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5249   -1.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -1.7942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985   -0.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8626   -0.5504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0361   -1.2119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2364   -2.1680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8540   -2.7904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4764   -2.1728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2663   -0.3658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4203   -0.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.2778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 41  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 28  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 18 33  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$
D0P4PZ
  -OEChem-04152122302D

  4  0  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    2.5000    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1   2   2   2   3   2   4   2
M  END

$$$$
D0P4VX
  -OEChem-10101305032D

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M  END

$$$$
D0P5AE
  -OEChem-10111523112D

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M  END

$$$$
D0P5CD
  SciTegic01161211252D

 20 20  0  0  0  0            999 V2000
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  2  1  1  0
  3  1  1  0
  4  3  2  0
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  6  2  1  0
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  8  6  1  0
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 10  2  1  0
 11  8  1  0
 12  3  1  0
 13 10  2  0
 14 11  2  0
 15  4  1  0
 16  5  1  0
 17  7  1  0
 18 11  1  0
 19  8  1  0
 20 10  1  0
  7  4  1  0
M  END

$$$$
D0P5DG
  -OEChem-10101305032D

 84 92  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0P5GE
  -OEChem-10121501142D

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M  END

$$$$
D0P5SA
  -OEChem-10111523382D

 56 59  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0P6IK
  -OEChem-04152109032D

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 65135  1  0  0  0  0
 66 68  1  1  0  0  0
 66136  1  0  0  0  0
 67 69  1  0  0  0  0
 68137  1  0  0  0  0
 68138  1  0  0  0  0
 69142  1  0  0  0  0
 69143  1  0  0  0  0
 69144  1  0  0  0  0
M  END

$$$$
D0P6UB
  -OEChem-10121500282D

 26 26  0     1  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END

$$$$
D0P6VV
  -OEChem-04152109262D

 41 43  0     1  0  0  0  0  0999 V2000
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    4.3598    2.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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  4  2  1  6  0  0  0
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  5 20  1  1  0  0  0
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 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
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 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
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 14 35  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 18 40  1  0  0  0  0
M  END

$$$$
D0P6ZH
  -OEChem-10101305032D

 86 89  0     1  0  0  0  0  0999 V2000
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 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 27  2  0  0  0  0
 20 29  1  0  0  0  0
 21 28  2  0  0  0  0
 21 30  1  0  0  0  0
 22 26  2  0  0  0  0
 22 34  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
 26 35  1  0  0  0  0
 27 37  1  0  0  0  0
 27 65  1  0  0  0  0
 28 38  1  0  0  0  0
 28 64  1  0  0  0  0
 29 39  2  0  0  0  0
 29 67  1  0  0  0  0
 30 40  2  0  0  0  0
 30 66  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 32 36  1  0  0  0  0
 32 71  1  0  0  0  0
 33 41  2  0  0  0  0
 33 72  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 35 75  1  0  0  0  0
 36 44  2  0  0  0  0
 37 42  2  0  0  0  0
 37 76  1  0  0  0  0
 38 43  2  0  0  0  0
 38 77  1  0  0  0  0
 39 42  1  0  0  0  0
 39 78  1  0  0  0  0
 40 43  1  0  0  0  0
 40 79  1  0  0  0  0
 41 44  1  0  0  0  0
 41 80  1  0  0  0  0
 42 81  1  0  0  0  0
 43 82  1  0  0  0  0
 44 83  1  0  0  0  0
 45 84  1  0  0  0  0
 45 85  1  0  0  0  0
 45 86  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END

$$$$
D0P7EK
  -OEChem-10101305032D

 26 25  0     1  0  0  0  0  0999 V2000
    6.0010    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 21  1  0  0  0  0
  7  2  1  6  0  0  0
  2 22  1  0  0  0  0
  9  3  1  1  0  0  0
  3 23  1  0  0  0  0
 10  4  1  1  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D0P7JZ
  -OEChem-10121500332D

 30 30  0     1  0  0  0  0  0999 V2000
    3.6350    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.6216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.9313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.3629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    0.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720    0.9829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 28  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  1  0  0  0  0
  3 29  1  0  0  0  0
  4 16  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  1  0  0  0
  5 22  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D0P7PD
  -OEChem-10101305022D

 58 61  0     1  0  0  0  0  0999 V2000
    4.2690    1.3038    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497    5.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.1962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -3.1962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -4.6962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.6962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -4.1962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.8038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9716    5.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.8162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -5.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.3862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.8862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -5.3162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9068    6.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3516    5.7983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    3.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  9  3  1  6  0  0  0
  3 39  1  0  0  0  0
 10  4  1  1  0  0  0
  4 40  1  0  0  0  0
 11  5  1  1  0  0  0
  5 42  1  0  0  0  0
  6 15  1  0  0  0  0
  6 50  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
 19  8  1  1  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  6  0  0  0
 12 35  1  0  0  0  0
 13 15  1  6  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  2  0  0  0  0
 19 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 44  1  0  0  0  0
 20 26  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D0P7VJ
  -OEChem-04152109112D

 46 46  0     0  0  0  0  0  0999 V2000
    8.0902    2.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
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 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
M  END

$$$$
D0P8AY
  -OEChem-04152109052D

 43 45  0     0  0  0  0  0  0999 V2000
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 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D0P8IV
  -OEChem-04152121562D

176182  0     1  0  0  0  0  0999 V2000
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 73161  1  0  0  0  0
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 73163  1  0  0  0  0
 74164  1  0  0  0  0
 74165  1  0  0  0  0
 74166  1  0  0  0  0
 75 77  1  0  0  0  0
 76 78  1  0  0  0  0
 77 79  1  0  0  0  0
 77 81  2  0  0  0  0
 78 80  2  0  0  0  0
 78 84  1  0  0  0  0
 79 82  1  0  0  0  0
 80 83  1  0  0  0  0
 81 87  1  0  0  0  0
 82 85  2  0  0  0  0
 83 86  2  0  0  0  0
 84 88  2  0  0  0  0
 84167  1  0  0  0  0
 85 87  1  0  0  0  0
 85 89  1  0  0  0  0
 86 88  1  0  0  0  0
 86 90  1  0  0  0  0
 88168  1  0  0  0  0
 89171  1  0  0  0  0
 89172  1  0  0  0  0
 89173  1  0  0  0  0
 90174  1  0  0  0  0
 90175  1  0  0  0  0
 90176  1  0  0  0  0
M  END

$$$$
D0P8MI
          07170800062D 1   1.00000     0.00000     0

 33 33  0     0  0            999 V2000
    2.7417   -4.2917    0.0000 S   0  0  3  0  0  0           0  0  0
    2.1250   -4.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2375   -0.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3500   -4.6417    0.0000 O   0  5  0  0  0  0           0  0  0
    2.3167   -3.7417    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2250   -3.7042    0.0000 O   0  0  0  0  0  0           0  0  0
    7.8500   -0.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0792   -0.5792    0.0000 S   0  3  3  0  0  0           0  0  0
    6.6250   -0.5792    0.0000 N   0  0  0  0  0  0           0  0  0
    7.2292   -1.6417    0.0000 O   0  0  0  0  0  0           0  0  0
    8.4625   -0.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1250   -5.3417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5125   -4.2792    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.1625   -1.9917    0.0000 O   0  0  0  0  0  0           0  0  0
    4.7792   -1.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9375   -1.9917    0.0000 C   0  0  3  0  0  0           0  0  0
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    1.5125   -5.7000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9000   -4.6417    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.0042   -1.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7792   -0.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3917   -2.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9625   -2.7000    0.0000 O   0  0  0  0  0  0           0  0  0
    9.6917   -0.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0792    0.1250    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7042   -1.9875    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3167   -1.6375    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2917   -5.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0917   -1.6292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4792   -1.9875    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  4  1  1  0     0  0
  5  1  2  0     0  0
  6  1  2  0     0  0
  7  3  1  0     0  0
  8 11  1  0     0  0
  9  3  1  0     0  0
 10  3  2  0     0  0
 11  7  1  0     0  0
 12  2  2  0     0  0
 13  2  1  0     0  0
 14  9  1  0     0  0
 15 16  1  0     0  0
 16 25  1  0     0  0
 17 18  1  0     0  0
 18 15  1  0     0  0
 19 12  1  0     0  0
 20 13  2  0     0  0
 21 20  1  0     0  0
 22 14  2  0     0  0
 23 14  1  0     0  0
 24 22  1  0     0  0
 25 23  2  0     0  0
 26 17  1  0     0  0
 27  8  1  0     0  0
 28  8  1  0     0  0
 29 30  1  0     0  0
 30 17  1  0     0  0
 31 21  1  0     0  0
 32 29  1  0     0  0
 33 32  1  0     0  0
 21 19  2  0     0  0
 24 16  2  0     0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D0P8RS
  -OEChem-10101305032D

 33 33  0     0  0  0  0  0  0999 V2000
    2.8660   -3.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    1.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    2.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  2  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  2  0  0  0  0
  5 11  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 14  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D0P9AC
  -OEChem-10121501222D

 22 22  0     0  0  0  0  0  0999 V2000
    3.7320    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END

$$$$
D0P9EA
  -OEChem-04152110432D

 21 21  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END

$$$$
D0P9NT
  -OEChem-04152108472D

  7  4  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
M  CHG  4   3   1   4   1   5  -1   6  -1
M  END

$$$$
D0P9RF
  -OEChem-10121501252D

 53 56  0     1  0  0  0  0  0999 V2000
    3.4782    0.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3090    0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3090   -1.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3147    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5388    0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5388   -1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4449   -0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4449   -1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3051    1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026    1.0673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5793    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1027   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6574    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2588    1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9791    2.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    2.1762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.5293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -0.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -0.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5316    1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5316   -2.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9251    1.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3027    2.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6851    1.4268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4848   -1.6606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7150   -0.8146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8690   -0.5844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2 16  2  0  0  0  0
  3 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  7 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 22  2  0  0  0  0
  9 22  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D0PA2N
  -OEChem-10101305032D

 55 58  0     1  0  0  0  0  0999 V2000
    9.2365   -0.6686    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715   -2.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8764   -3.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5236   -3.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442   -1.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881    1.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4872    2.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854   -1.9776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715   -0.2649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602    1.1522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5994    4.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END

$$$$
D0PA5S
  -OEChem-10121500032D

 28 28  0     0  0  0  0  0  0999 V2000
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 17 28  1  0  0  0  0
M  END

$$$$
D0PG8O
  -OEChem-10111523312D

 48 53  0     1  0  0  0  0  0999 V2000
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 25 47  1  0  0  0  0
M  END

$$$$
D0PH5Z
  -OEChem-04152108512D

 59 62  0     1  0  0  0  0  0999 V2000
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   10.5822    0.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0941   -2.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9089    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0595   -2.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1287   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8333   -3.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1643    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    0.4908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9654    0.7361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.4199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7484    0.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    3.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    3.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.6223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5723    1.8582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8978   -2.8991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6581   -2.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2212   -1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2904   -1.1804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5302   -1.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9670   -2.3775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5798    0.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1929   -0.6562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3773   -4.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 33  1  0  0  0  0
  2 37  1  0  0  0  0
  3 18  2  0  0  0  0
  4 23  1  0  0  0  0
  5 23  2  0  0  0  0
  6 24  2  0  0  0  0
  7 13  1  0  0  0  0
  7 32  1  0  0  0  0
  8 36  1  0  0  0  0
  8 59  1  0  0  0  0
  9 36  2  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 17 11  1  1  0  0  0
 11 24  1  0  0  0  0
 11 42  1  0  0  0  0
 12 22  1  0  0  0  0
 12 26  2  0  0  0  0
 12 27  1  0  0  0  0
 13 25  2  0  0  0  0
 14 28  1  0  0  0  0
 14 37  2  0  0  0  0
 15 37  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  6  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 45  1  0  0  0  0
 27 30  2  0  0  0  0
 27 46  1  0  0  0  0
 28 33  2  0  0  0  0
 29 31  2  0  0  0  0
 29 47  1  0  0  0  0
 30 31  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 50  1  0  0  0  0
 34 51  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
 35 54  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
M  CHG  2   4  -1  12   1
M  END

$$$$
D0PI2E
  -OEChem-10101305032D

 41 42  0     1  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.5000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -5.5000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    4.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.6200    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 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  2 25  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  3 24  1  0  0  0  0
  6 41  1  0  0  0  0
  7 40  1  0  0  0  0
 10 19  1  0  0  0  0
 10 25  1  0  0  0  0
 10 34  1  0  0  0  0
 11 18  1  0  0  0  0
 11 24  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  1  0  0  0  0
 15 21  1  0  0  0  0
 15 26  1  0  0  0  0
 16 22  2  0  0  0  0
 16 29  1  0  0  0  0
 17 23  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 31  1  0  0  0  0
 21 30  1  0  0  0  0
 22 33  1  0  0  0  0
 23 32  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END

$$$$
D0PI3Z
  -OEChem-04152109072D

 82 84  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0PI8W
  -OEChem-10101305022D

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M  END

$$$$
D0PN1F
  -OEChem-04152122302D

 61 64  0     1  0  0  0  0  0999 V2000
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 14 10  1  1  0  0  0
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 16 40  1  0  0  0  0
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 25 53  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  2  0  0  0  0
 28 54  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 55  1  0  0  0  0
 31 35  2  0  0  0  0
 31 56  1  0  0  0  0
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 33 58  1  0  0  0  0
 34 36  2  0  0  0  0
 34 59  1  0  0  0  0
 35 36  1  0  0  0  0
 35 60  1  0  0  0  0
 36 61  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END

$$$$
D0PQ3G
  -OEChem-10121500302D

 32 33  0     0  0  0  0  0  0999 V2000
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  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  6 18  1  0  0  0  0
  6 32  1  0  0  0  0
  7 18  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
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 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  END

$$$$
D0PS6X
  -OEChem-10101305032D

120118  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0PW7C
  -OEChem-10101305032D

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 11  8  1  1  0  0  0
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 17  9  1  1  0  0  0
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M  END

$$$$
D0PX8L
  CDK    6/4/10,11:42

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0 
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 16 21  1  0  0  0  0 
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 20 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
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 14 23  1  0  0  0  0 
M  END

$$$$
D0Q0EX
  -OEChem-04152109092D

 61 62  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0Q0PR
  -OEChem-04152108432D

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M  END

$$$$
D0Q0RC
  -OEChem-10121501152D

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    1.4643   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
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  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
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  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 17  2  0  0  0  0
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 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
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 14 33  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 19  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  1  0  0  0  0
 16 39  1  0  0  0  0
 17 22  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 22  2  0  0  0  0
 20 44  1  0  0  0  0
 21 46  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D0Q1BT
  -OEChem-10121500142D

 52 55  0     1  0  0  0  0  0999 V2000
    5.3461   -0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    0.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8637    1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990   -3.4256    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    5.6742    4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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 10 37  1  0  0  0  0
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 11 35  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 18  2  0  0  0  0
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 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 43  1  0  0  0  0
 18 22  1  0  0  0  0
 18 44  1  0  0  0  0
 19 23  2  0  0  0  0
 19 45  1  0  0  0  0
 20 24  2  0  0  0  0
 20 46  1  0  0  0  0
 21 25  2  0  0  0  0
 21 47  1  0  0  0  0
 22 26  2  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 24 26  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D0Q1IT
  -OEChem-10101305022D

 49 50  0     1  0  0  0  0  0999 V2000
    6.8671    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  6  0  0  0
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 18 22  2  0  0  0  0
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 21 43  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0Q1MS
  -OEChem-10101305022D

 58 61  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0Q1PR
  -OEChem-10101305032D

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 39 41  2  0  0  0  0
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 45100  1  0  0  0  0
 46 49  1  0  0  0  0
 46101  1  0  0  0  0
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 50 53  2  0  0  0  0
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 51105  1  0  0  0  0
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 57110  1  0  0  0  0
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 58112  1  0  0  0  0
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 59118  1  0  0  0  0
 59119  1  0  0  0  0
 60115  1  0  0  0  0
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 60117  1  0  0  0  0
 61120  1  0  0  0  0
 61121  1  0  0  0  0
 62122  1  0  0  0  0
 62126  1  0  0  0  0
 62127  1  0  0  0  0
 63123  1  0  0  0  0
 63124  1  0  0  0  0
 63125  1  0  0  0  0
 64128  1  0  0  0  0
 64129  1  0  0  0  0
 64130  1  0  0  0  0
 65131  1  0  0  0  0
 65132  1  0  0  0  0
 65133  1  0  0  0  0
 66136  1  0  0  0  0
 66137  1  0  0  0  0
 66138  1  0  0  0  0
 67134  1  0  0  0  0
 67135  1  0  0  0  0
 67139  1  0  0  0  0
M  CHG  2  13   1  14   1
M  END

$$$$
D0Q1SA
  -OEChem-04152110452D

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  1 11  1  0  0  0  0
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 17  2  1  1  0  0  0
 23  2  1  1  0  0  0
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 24  5  1  6  0  0  0
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 27  6  1  6  0  0  0
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 18 30  1  1  0  0  0
 18 50  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 34  1  6  0  0  0
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 25 33  1  0  0  0  0
 25 37  1  1  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 26 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 33  1  0  0  0  0
 28 64  1  0  0  0  0
 29 31  1  0  0  0  0
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 30 68  1  0  0  0  0
 31 38  1  1  0  0  0
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 34 72  1  0  0  0  0
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 34 74  1  0  0  0  0
 36 75  1  0  0  0  0
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 36 77  1  0  0  0  0
 37 78  1  0  0  0  0
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 39 85  1  0  0  0  0
 40 87  1  0  0  0  0
 40 88  1  0  0  0  0
 40 89  1  0  0  0  0
 41 90  1  0  0  0  0
 41 91  1  0  0  0  0
 41 92  1  0  0  0  0
M  END

$$$$
D0Q2AS
  CDK    9/16/09,9:55

 19 20  0  0  0  0  0  0  0  0999 V2000
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    7.5910    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9680   -2.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
  7 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 13 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
M  END

$$$$
D0Q2AT
  -OEChem-10101305022D

 47 50  0     1  0  0  0  0  0999 V2000
    2.7896    2.4144    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8948    0.8016    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6702   -0.4948    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298   -1.2201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  END

$$$$
D0Q2ES
  -OEChem-10121501422D

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M  END

$$$$
D0Q2HO
  -OEChem-04152122312D

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M  END

$$$$
D0Q2MH
  -OEChem-10101305032D

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   13.9615   11.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949   11.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3634    1.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0968    1.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4468   12.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2096   12.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8487    0.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6116    0.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 42  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 41  1  0  0  0  0
  7 10  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 15  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 16  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 21  1  0  0  0  0
 11 25  2  0  0  0  0
 12 22  1  0  0  0  0
 12 26  2  0  0  0  0
 13 23  1  0  0  0  0
 13 27  2  0  0  0  0
 14 24  1  0  0  0  0
 14 28  2  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 64  1  0  0  0  0
 17 65  1  0  0  0  0
 17 66  1  0  0  0  0
 18 61  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  2  0  0  0  0
 22 30  2  0  0  0  0
 23 24  1  0  0  0  0
 23 31  2  0  0  0  0
 24 32  2  0  0  0  0
 25 33  1  0  0  0  0
 25 67  1  0  0  0  0
 26 34  1  0  0  0  0
 26 68  1  0  0  0  0
 27 35  1  0  0  0  0
 27 69  1  0  0  0  0
 28 36  1  0  0  0  0
 28 70  1  0  0  0  0
 29 40  1  0  0  0  0
 29 71  1  0  0  0  0
 30 39  1  0  0  0  0
 30 72  1  0  0  0  0
 31 38  1  0  0  0  0
 31 73  1  0  0  0  0
 32 37  1  0  0  0  0
 32 74  1  0  0  0  0
 33 40  2  0  0  0  0
 33 75  1  0  0  0  0
 34 39  2  0  0  0  0
 34 76  1  0  0  0  0
 35 38  2  0  0  0  0
 35 77  1  0  0  0  0
 36 37  2  0  0  0  0
 36 78  1  0  0  0  0
 37 82  1  0  0  0  0
 38 81  1  0  0  0  0
 39 80  1  0  0  0  0
 40 79  1  0  0  0  0
M  CHG  4   1  -1   2  -1   3   1   4   1
M  END

$$$$
D0Q2MN
  -OEChem-10191522592D

 42 44  0     0  0  0  0  0  0999 V2000
    5.3830    3.0953    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150   -2.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150   -3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3596   -0.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9611   -0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460   -0.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1384   -1.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369   -2.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5210    3.6998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8244    3.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744    0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    3.2419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916    0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280    3.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    0.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    2.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9871    0.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    2.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9950   -3.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7910   -2.1323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0180   -1.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1710   -1.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150   -3.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2350   -3.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  2  0  0  0  0
  5 11  1  0  0  0  0
  5 14  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D0Q2PE
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
    8.6651    1.2879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -0.7604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3933   -1.7671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -1.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5254   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9334    0.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1364    0.2127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0511   -1.6504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470   -2.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0073   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6115   -0.1853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -2.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9221   -2.7402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9291   -2.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -1.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -2.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -1.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   -2.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 19  2  0  0  0  0
  3 23  1  0  0  0  0
  3 41  1  0  0  0  0
  4 23  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 32  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 34  1  0  0  0  0
 18 22  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D0Q2QU
  -OEChem-04152108452D

157156  0     1  0  0  0  0  0999 V2000
    8.0739   18.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4199   17.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4236   19.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0261   21.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5374   13.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7940    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7940   11.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7940    6.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5259    7.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6603    7.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   12.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1240   12.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2584   12.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2580    7.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3924    7.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3496   16.7737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3496   15.1643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5374   16.9690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6713   15.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1960    1.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1960   10.9327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1960    6.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   12.3129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3919   12.3129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5263   12.3129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6119   18.0316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6136   19.0316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6603   17.7242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6631   19.3423    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3557   20.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034   16.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9332   15.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034   15.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5374   14.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6713   16.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0620    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0620   11.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0Q2XF
  -OEChem-10111523372D

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M  END

$$$$
D0Q2ZV
  SciTegic12111210002D

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  3  1  1  0
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 10  3  1  0
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 13  4  1  0
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 22 18  1  0
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 24 19  1  0
  8  4  1  0
M  END

$$$$
D0Q3BV
  -OEChem-10101305022D

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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

$$$$
D0Q3VE
  -OEChem-10191523022D

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 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END

$$$$
D0Q3YO
  -OEChem-10101305022D

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 27 28  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END

$$$$
D0Q4CS
  -OEChem-04152108512D

 30 32  0     1  0  0  0  0  0999 V2000
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 13 30  1  0  0  0  0
M  END

$$$$
D0Q4EW
  -OEChem-04152122252D

 21 17  0     0  0  0  0  0  0999 V2000
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    3.7320   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2010    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    3.0981    2.2990    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7990    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6807    0.7790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881   -1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  CHG  6   2  -1   4  -1   5  -1  14   1  15   1  16   1
M  END

$$$$
D0Q4SD
  -OEChem-10111523592D

 60 65  0     1  0  0  0  0  0999 V2000
    3.3022   -0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829    2.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6764   -0.1140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7931    1.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153   -4.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1684   -0.1272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0345    0.3728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1684    1.8728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0345    1.3728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3024    0.3728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1524   -1.1687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3024    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3776    2.8446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9445   -0.1340    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7715    2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3664    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504   -1.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9525   -1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    2.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872    3.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1524   -1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8046    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837   -2.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    4.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   -2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9778    3.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1192   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5366    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7673    0.8035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8114    1.0281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    0.3729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    1.9554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918    1.2651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4844   -0.4389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1369    1.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    2.3507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9560    3.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2376    3.5542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660   -1.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -1.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913    2.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730    2.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    1.4359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0004   -1.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880   -1.7860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1766    3.6298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    4.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9657   -3.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    4.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    4.7396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5969   -3.0894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8528   -0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2204    0.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  6  0  0  0
  1 11  1  0  0  0  0
 14  2  1  1  0  0  0
  2 28  1  0  0  0  0
  3 24  1  0  0  0  0
  3 30  1  0  0  0  0
  4 24  2  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  1  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  1  0  0  0
 10 16  1  0  0  0  0
 10 32  1  6  0  0  0
 11 13  1  0  0  0  0
 11 33  1  1  0  0  0
 12 18  1  0  0  0  0
 12 21  1  0  0  0  0
 12 23  1  1  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  6  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  2  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 25  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 26  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 25 29  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 29  1  0  0  0  0
 27 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END

$$$$
D0Q4TK
  -OEChem-10101305032D

 47 47  0     1  0  0  0  0  0999 V2000
    2.0948    0.7743    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1370    6.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    9.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    7.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7351    8.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710    9.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    6.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6634    1.7688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974    3.2688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5294    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5294    3.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6634    3.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6634    0.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313    1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1993    1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    1.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1370    7.5538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0030    8.0538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0778    3.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    0.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710    8.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    7.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7415    3.8514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8644    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    6.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5399    9.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8680    7.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2720    7.7438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
 20  2  1  1  0  0  0
  2 44  1  0  0  0  0
 21  3  1  1  0  0  0
  3 45  1  0  0  0  0
  4 24  1  0  0  0  0
  4 46  1  0  0  0  0
  5 25  1  0  0  0  0
  5 47  1  0  0  0  0
  6 24  2  0  0  0  0
  7 25  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 38  1  0  0  0  0
 21 25  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D0Q4XQ
  -OEChem-10121501162D

 21 21  0     1  0  0  0  0  0999 V2000
    5.5202   -0.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.1030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.4358    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2601    0.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111    0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4190    1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    0.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8308    0.7232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8801    1.4358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    1.4358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5480    2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8126    1.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END

$$$$
D0Q4YI
  -OEChem-04152108512D

 41 42  0     0  0  0  0  0  0999 V2000
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4607   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0420    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END

$$$$
D0Q4YK
  -OEChem-10121500222D

 20 20  0     0  0  0  0  0  0999 V2000
    5.4921    0.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    1.4755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    2.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    2.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END

$$$$
D0Q5IN
  -OEChem-10101305032D

 18 18  0     0  0  0  0  0  0999 V2000
    5.4641    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END

$$$$
D0Q5MQ
  -OEChem-10121501312D

 37 39  0     1  0  0  0  0  0999 V2000
    4.6783   -3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3660    0.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3660    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    0.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    0.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834   -0.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441    0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    0.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4272   -1.3114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8860    3.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    3.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741    3.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6541    4.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 16  2  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  1  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
D0Q5NX
  -OEChem-10121501282D

 32 34  0     1  0  0  0  0  0999 V2000
    4.9889   -2.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7619    0.5887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2774    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7619   -1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8695   -1.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    0.8366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.0943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  6 16  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D0Q5SP
          01210517072D 1   1.00000     0.00000     0

 19 19  0     0  0            999 V2000
    7.8292   -2.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8292   -2.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8292   -1.7917    0.0000 O   0  0  0  0  0  0           0  0  0
    7.2125   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8250   -3.2167    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2167   -2.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4417   -2.8542    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4417   -2.1542    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6000   -2.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2125   -3.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5917   -2.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6000   -3.2167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9792   -2.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5917   -3.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9792   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9792   -3.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3667   -2.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9792   -3.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3667   -3.2167    0.0000 C   0  0  0  0  0  0           0  0  0
  3  1  2  0     0  0
  4  1  1  0     0  0
  5  2  2  0     0  0
  6  2  1  0     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
  9  6  1  0     0  0
 10  4  2  0     0  0
 11  4  1  0     0  0
 12  9  2  0     0  0
 13  9  1  0     0  0
 14 10  1  0     0  0
 15 11  2  0     0  0
 16 12  1  0     0  0
 17 13  2  0     0  0
 18 14  2  0     0  0
 19 17  1  0     0  0
 15 18  1  0     0  0
 16 19  2  0     0  0
M  END

$$$$
D0Q5UQ
  -OEChem-04152109232D

 43 46  0     0  0  0  0  0  0999 V2000
    6.9654    2.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    3.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -3.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.5248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.1126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.0636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    1.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1733    1.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6381   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    1.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891   -0.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323    0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -0.6652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.6652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773   -0.5895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -2.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -2.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.2017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    1.5785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180   -1.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9219   -0.0061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    5.1616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    4.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4262    2.8657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2357    4.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -4.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 41  1  0  0  0  0
  2 17  1  0  0  0  0
  2 42  1  0  0  0  0
  3 28  1  0  0  0  0
  3 43  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  2  0  0  0  0
 13 18  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  2  0  0  0  0
 14 30  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 16 31  1  0  0  0  0
 17 25  2  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 28  1  0  0  0  0
 21 26  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 27  1  0  0  0  0
 25 38  1  0  0  0  0
 26 27  2  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  END

$$$$
D0Q5XX
  -OEChem-10101305022D

 56 55  0     0  0  0  0  0  0999 V2000
   11.5263   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -1.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -2.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -3.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -3.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 56  1  0  0  0  0
  2 23  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 23  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  2  0  0  0  0
  8 35  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  2  0  0  0  0
 13 41  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  2  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 22  2  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
M  END

$$$$
D0Q6DX
  SciTegic03291108542D

 15 14  0  0  0  0            999 V2000
   -0.1905   -0.7700    0.0000 O   0  0
    1.2384    0.0550    0.0000 O   0  0
   -1.6195    0.0550    0.0000 O   0  0
    1.2384   -0.7700    0.0000 O   0  0
    2.6674    0.0550    0.0000 O   0  0
   -3.0484    0.0550    0.0000 O   0  0
   -0.1905    0.0550    0.0000 C   0  0
    0.5240    0.4675    0.0000 C   0  0
   -0.9050    0.4675    0.0000 C   0  0
    0.5240   -1.1825    0.0000 C   0  0
    1.9529    0.4675    0.0000 C   0  0
   -2.3339    0.4675    0.0000 C   0  0
    0.5240   -2.0075    0.0000 C   0  0
    1.9529    1.2925    0.0000 C   0  0
   -2.3339    1.2925    0.0000 C   0  0
  1  7  1  0
  1 10  1  0
  2  8  1  0
  2 11  1  0
  3  9  1  0
  3 12  1  0
  4 10  2  0
  5 11  2  0
  6 12  2  0
  7  8  1  0
  7  9  1  0
 10 13  1  0
 11 14  1  0
 12 15  1  0
M  END

$$$$
D0Q6LA
  -OEChem-04152110062D

 57 59  0     1  0  0  0  0  0999 V2000
   13.8116    0.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    3.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8232    3.2726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292    1.7171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 32 34  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D0Q6NZ
  -OEChem-04152110302D

 56 59  0     1  0  0  0  0  0999 V2000
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 24 55  1  0  0  0  0
M  END

$$$$
D0Q6OS
  -OEChem-10101305032D

141144  0     1  0  0  0  0  0999 V2000
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 64141  1  0  0  0  0
M  END

$$$$
D0Q7MA
  SciTegic11201309402D

 27 27  0  0  0  0            999 V2000
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 10  5  1  0
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 10  9  1  0
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 23 24  2  0
 23 25  1  0
 10 27  1  6
M  ENDM  END

$$$$
D0Q7YI
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
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   10.0021   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
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  8  5  1  1  0  0  0
  5 35  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 40  1  0  0  0  0
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 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D0Q7ZG
  -OEChem-10121501232D

 47 47  0     0  0  0  0  0  0999 V2000
    8.0622   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.9050    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
   11.5263   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    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
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    2.8660    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2163   -2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   -1.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
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 10 33  1  0  0  0  0
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 10 35  1  0  0  0  0
 11 30  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END

$$$$
D0Q7ZQ
  -OEChem-10121500172D

 50 49  0     0  0  0  0  0  0999 V2000
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292    1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5823    1.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3554    0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3554   -0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5683    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9030   -0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9483    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  1 19  1  0  0  0  0
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  5  8  1  0  0  0  0
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  9 38  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 42  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END

$$$$
D0Q8CS
  -OEChem-10121501422D

 26 26  0     0  0  0  0  0  0999 V2000
    2.8660   -3.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7181    1.4610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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  3  6  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 23  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
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 16 26  1  0  0  0  0
M  END

$$$$
D0Q8NJ
  -OEChem-04152109112D

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M  END

$$$$
D0Q8XH
  -OEChem-10101305032D

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 12 19  1  0  0  0  0
 17 13  1  1  0  0  0
 13 23  1  0  0  0  0
 13 42  1  0  0  0  0
 14 22  1  0  0  0  0
 14 27  2  0  0  0  0
 14 28  1  0  0  0  0
 15 37  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  6  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 24 26  1  0  0  0  0
 24 45  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 46  1  0  0  0  0
 28 32  2  0  0  0  0
 28 47  1  0  0  0  0
 29 34  1  0  0  0  0
 29 48  1  0  0  0  0
 30 35  2  0  0  0  0
 30 49  1  0  0  0  0
 31 33  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
 33 37  1  0  0  0  0
 34 36  2  0  0  0  0
 34 52  1  0  0  0  0
 35 36  1  0  0  0  0
 35 53  1  0  0  0  0
 36 54  1  0  0  0  0
M  CHG  4   3   1   6  -1   8  -1  14   1
M  END

$$$$
D0Q8ZX
  -OEChem-10101305022D

 23 23  0     0  0  0  0  0  0999 V2000
    3.7320    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END

$$$$
D0Q9DK
  -OEChem-10121501202D

 42 42  0     0  0  0  0  0  0999 V2000
    8.0337   -0.7098    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0369   -0.1189    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0615    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1590    1.3487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401   -0.7098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369   -1.6577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -0.6587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    0.9886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.3705    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.2970   -1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3459   -1.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7279   -1.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7768   -1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0369   -0.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9912   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8322    0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0059   -1.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7855   -1.7606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5940   -1.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3737   -1.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8280    0.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0484    0.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2882   -1.7606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0679   -1.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6724    0.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595   -1.2652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7996   -1.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5808   -1.2104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1827   -0.4292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4386    0.3972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7033    0.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2257    0.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428    1.1802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    2.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.0726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 31  1  0  0  0  0
  8 19  1  0  0  0  0
  8 21  1  0  0  0  0
  8 38  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 30  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  CHG  2   3  -1   9   1
M  END

$$$$
D0Q9EV
  -OEChem-10191522582D

 65 69  0     1  0  0  0  0  0999 V2000
    9.0622   -0.7621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.2379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.2621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5884    3.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1373    2.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7282    1.7587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8221    0.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7282    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8221    2.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5923    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.2379    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4602    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3243    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4641    0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1923    1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1961    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3321    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1435    0.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7240    1.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4175   -0.2665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2158   -0.2758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9373    0.1334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3391    0.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2158    2.7516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4175    2.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    2.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1306    1.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335    1.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3220    2.8888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9284    0.4534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3344   -0.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.5479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3384   -0.1176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -3.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -3.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3440    1.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  2  0  0  0  0
  3 33  1  0  0  0  0
  3 41  1  0  0  0  0
  4 21  2  0  0  0  0
  5 25  2  0  0  0  0
  6 31  1  0  0  0  0
  6 40  1  0  0  0  0
  7 32  1  0  0  0  0
  7 65  1  0  0  0  0
  8 32  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 23 12  1  6  0  0  0
 12 25  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 48  1  0  0  0  0
 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 32  1  0  0  0  0
 23 49  1  0  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 30  2  0  0  0  0
 27 35  1  0  0  0  0
 28 31  1  0  0  0  0
 28 53  1  0  0  0  0
 29 36  2  0  0  0  0
 29 54  1  0  0  0  0
 30 33  1  0  0  0  0
 30 55  1  0  0  0  0
 31 34  2  0  0  0  0
 33 37  2  0  0  0  0
 34 36  1  0  0  0  0
 34 39  1  0  0  0  0
 35 38  2  0  0  0  0
 35 56  1  0  0  0  0
 36 57  1  0  0  0  0
 37 38  1  0  0  0  0
 37 58  1  0  0  0  0
 38 59  1  0  0  0  0
 39 40  2  0  0  0  0
 39 60  1  0  0  0  0
 40 64  1  0  0  0  0
 41 61  1  0  0  0  0
 41 62  1  0  0  0  0
 41 63  1  0  0  0  0
M  END

$$$$
D0Q9HF
  -OEChem-10121500002D

 26 25  0     0  0  0  0  0  0999 V2000
    5.4641    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0670    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D0Q9JT
  -OEChem-10121500342D

 31 32  0     0  0  0  0  0  0999 V2000
    2.1340    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 11  1  0  0  0  0
  2 15  2  0  0  0  0
  3 14  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D0Q9ON
  -OEChem-10121500362D

 46 47  0     1  0  0  0  0  0999 V2000
    8.9282   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    4.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    5.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 37  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 18  1  0  0  0  0
  3 23  1  0  0  0  0
  4 21  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 31  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 19  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  2  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D0Q9WO
  -OEChem-10101305022D

 38 40  0     1  0  0  0  0  0999 V2000
    8.1647    1.3642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6300    2.0531    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204   -1.3427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7188   -0.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439    1.2411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6533   -4.3884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006   -0.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006    0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7188    1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439   -0.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.3401    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3946   -0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3946    1.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413    2.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083   -2.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3006   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8969    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083    3.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1194    3.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4308    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3864    4.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4308   -3.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2777   -2.2792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9801    0.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3874   -1.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3874    1.9947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8719   -1.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370   -2.6793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8364   -0.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6158    2.9359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7119    3.8909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9763    4.5153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    4.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 35  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 25  3  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 17  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  2  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 25  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END

$$$$
D0Q9YT
  -OEChem-10191522532D

 32 33  0     1  0  0  0  0  0999 V2000
    4.2690   -1.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7494   -1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    1.3624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1723    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.6723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671   -0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    0.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    0.8277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    1.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    1.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5288    1.9718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
  1 28  1  0  0  0  0
 12  2  1  1  0  0  0
  2 30  1  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 29  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 17  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  6  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D0QC3M
          06291000072D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
    3.1542   -3.4917    0.0000 N   0  0  3  0  0  0           0  0  0
    1.9167   -2.7917    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4625   -2.4292    0.0000 C   0  0  3  0  0  0           0  0  0
    6.8500   -2.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5417   -3.8500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1625   -2.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7750   -3.8500    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9292   -3.5000    0.0000 C   0  0  1  0  0  0           0  0  0
    2.5417   -2.4292    0.0000 C   0  0  2  0  0  0           0  0  0
    6.2292   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8500   -3.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6167   -3.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -3.8500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3917   -3.4917    0.0000 C   0  0  3  0  0  0           0  0  0
    5.6167   -2.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2292   -3.8500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0750   -2.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9625   -1.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9542   -1.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3250   -3.8625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5417   -1.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3917   -2.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6875   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
  2  9  1  0     0  0
  3  4  1  0     0  0
  4 11  1  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  8  5  1  0     0  0
  9  6  1  0     0  0
 10 15  1  0     0  0
 11 16  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  7  1  0     0  0
 15 12  2  0     0  0
 16 12  1  0     0  0
 17  3  1  0     0  0
 18  3  1  0     0  0
 19  3  1  0     0  0
  8 20  1  1     0  0
  9 21  1  1     0  0
 22 14  1  0     0  0
 23 17  1  0     0  0
  8  2  1  0     0  0
  4 10  2  0     0  0
M  END

$$$$
D0QC5D
  -OEChem-04152122252D

 19 17  0     0  0  0  0  0  0999 V2000
    5.6039   -0.7078    0.0000 Ga -2  1  0  0  0  0  0  0  0  0  0  0
    2.5123   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -1.3313    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2236   -1.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6039    0.2922    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5048   -1.1417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0446    1.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2321   -1.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220    0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3311   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471    1.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427    0.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506    0.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352   -0.1699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  CHG  4   1   3   3  -1   5  -1   6  -1
M  ISO  1   1  67
M  END

$$$$
D0QD1G
  -OEChem-10101305032D

 54 56  0     1  0  0  0  0  0999 V2000
   10.3856    3.9204    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3933    1.9204    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -1.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    0.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613    1.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5254    2.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933    2.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5215    3.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7895    3.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6536    3.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -2.7181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -2.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -3.6104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -1.5735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930   -2.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -3.6104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -1.7650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.5442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8794    0.3320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2753    1.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.9204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2576    2.0983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -2.1322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6589   -2.7545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2813   -2.1369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2514    3.7183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512    4.5337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 26  1  0  0  0  0
  3 12  1  0  0  0  0
  3 47  1  0  0  0  0
  4 22  1  0  0  0  0
  4 28  1  0  0  0  0
  5 20  2  0  0  0  0
  6 25  1  0  0  0  0
  6 53  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  6  0  0  0
  9 32  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 41  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  2  0  0  0  0
 16 42  1  0  0  0  0
 17 22  2  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D0QE5U
  -OEChem-10101305022D

815826  0     1  0  0  0  0  0999 V2000
   21.2397    3.0007    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.5706    2.2576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4853  -21.8771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4635  -22.0850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.9867  -27.0482    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.9649  -27.2561    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7706   17.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   16.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1590   16.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3669   17.5641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   15.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   14.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3180   17.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   19.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9202   23.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0611   17.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8532   16.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9726   12.6223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1531   10.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0QK5X
  -OEChem-10121500582D

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M  END

$$$$
D0QL3P
  -OEChem-10121501212D

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  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
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  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 19  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D0QO7H
          12220900122D 1   1.00000     0.00000     0

 17 19  0     0  0            999 V2000
    0.2500   -1.4125    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3583   -1.7667    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.3583   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.9708   -1.4167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9708   -2.8375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4875   -2.8250    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9708   -0.7042    0.0000 O   0  0  0  0  0  0           0  0  0
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   -1.5833   -1.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0917   -1.7500    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  2  0     0  0
  6  5  1  0     0  0
  7  1  2  0     0  0
  8  3  1  0     0  0
  9  2  2  0     0  0
 10  4  2  0     0  0
 11  5  1  0     0  0
 12  9  1  0     0  0
 13  8  1  0     0  0
 14 16  2  0     0  0
 15 17  1  0     0  0
 16  9  1  0     0  0
 17  8  2  0     0  0
  4  6  1  0     0  0
 11 15  2  0     0  0
 10 14  1  0     0  0
M  END

$$$$
D0QQ6Q
  -OEChem-10111523362D

 57 58  0     1  0  0  0  0  0999 V2000
    4.8255    3.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    2.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2704   -4.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8056   -2.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1317    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3776    1.7250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5686    3.1262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5468    3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2214   -4.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  3  1  6  0  0  0
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 10 11  1  0  0  0  0
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 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  1  0  0  0  0
 23 50  1  0  0  0  0
 24 27  2  0  0  0  0
 24 51  1  0  0  0  0
 26 28  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D0QQ7D
  -OEChem-10101305022D

 32 34  0     1  0  0  0  0  0999 V2000
    4.6650    1.4754    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    2.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740    2.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 25  1  0  0  0  0
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 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D0QS1U
  -OEChem-04152108512D

 24 25  0     0  0  0  0  0  0999 V2000
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    6.0690    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END

$$$$
D0QV5T
  -OEChem-10121501002D

 37 39  0     1  0  0  0  0  0999 V2000
    6.3301    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -2.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2 36  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D0R0BX
  -OEChem-10101305032D

 23 24  0     0  0  0  0  0  0999 V2000
    5.4351    1.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -4.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3072    4.0546    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.7084    3.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.2456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139    3.1411    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -3.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261    2.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261    2.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -2.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -1.7576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956   -3.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -0.5168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274    1.1894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7617    2.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 23  1  0  0  0  0
M  CHG  2   4  -1   9   1
M  END

$$$$
D0R0FE
  -OEChem-10111523462D

 71 72  0     1  0  0  0  0  0999 V2000
    2.8660   -2.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0981    1.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0981    3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    2.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.5981    0.5179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5179    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0981    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5981    3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0981    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0981    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5981    3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904   -0.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807    0.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2057    1.9946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5155    1.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9904    0.7734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6807    1.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.5549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.4810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    2.5549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.4810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4904    1.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1807    2.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6350    3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7881    3.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5611    2.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2057    3.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    3.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2881    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2881    4.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9081    4.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -4.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.4451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0981    0.7640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7181    1.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0981    2.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1350    3.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9081    4.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0611    4.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 28  1  0  0  0  0
  2 23  1  0  0  0  0
  2 31  1  0  0  0  0
  3 27  1  0  0  0  0
  3 32  1  0  0  0  0
  4 30  1  0  0  0  0
  4 33  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  6 15  3  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 41  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 16 19  1  0  0  0  0
 16 47  1  0  0  0  0
 17 21  2  0  0  0  0
 17 48  1  0  0  0  0
 18 22  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 23  2  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 23  1  0  0  0  0
 21 56  1  0  0  0  0
 22 24  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 57  1  0  0  0  0
 26 29  2  0  0  0  0
 26 58  1  0  0  0  0
 27 30  2  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
M  END

$$$$
D0R0FO
  -OEChem-10101305032D

 49 52  0     0  0  0  0  0  0999 V2000
    9.8104    0.6534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9039   -2.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 45  1  0  0  0  0
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 30 47  1  0  0  0  0
M  END

$$$$
D0R0MW
  -OEChem-10121500422D

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 28 29  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D0R0TS
  -OEChem-10101305032D

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 28 40  1  0  0  0  0
M  END

$$$$
D0R0UJ
  -OEChem-10121501222D

 25 25  0     1  0  0  0  0  0999 V2000
    3.7320    0.5950    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
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  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  2  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 22  1  0  0  0  0
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  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  3  0  0  0  0
 12 25  1  0  0  0  0
M  END

$$$$
D0R0ZL
  -OEChem-04152109232D

 60 61  0     1  0  0  0  0  0999 V2000
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 22  1  1  6  0  0  0
 21  2  1  6  0  0  0
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 16  4  1  1  0  0  0
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 18  5  1  1  0  0  0
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 20  6  1  6  0  0  0
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 14 34  1  6  0  0  0
 15 22  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 24  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
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 25 51  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
M  END

$$$$
D0R1BD
  -OEChem-10101305022D

 41 43  0     1  0  0  0  0  0999 V2000
    9.2365    1.2974    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D0R1CR
  -OEChem-10121500062D

 23 23  0     1  0  0  0  0  0999 V2000
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    4.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 23  1  0  0  0  0
  2  9  2  0  0  0  0
  5  3  1  1  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END

$$$$
D0R1DH
          01261100102D 1   1.00000     0.00000     0

 27 27  0     0  0            999 V2000
   -3.3417    1.7500    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.7333    2.1000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2708    1.3917    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8917    1.7500    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7333    2.8125    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.9542    2.1000    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3417    1.0417    0.0000 C   0  0  3  0  0  0           0  0  0
   -3.9625    1.4000    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.1125    1.7500    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9375    1.3917    0.0000 N   0  0  3  0  0  0           0  0  0
    0.3292    1.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2083   -0.1167    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -1.5000    2.1000    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.5583    2.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1667    1.3917    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.5708    3.1625    0.0000 C   0  0  0  0  0  0           0  0  0
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   -5.1833    2.8125    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3417   -0.3792    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  4  3  0     0  0
  4 13  1  0     0  0
  5  2  2  0     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  8  1  1  0     0  0
  9  2  1  0     0  0
 10 11  1  0     0  0
 11  3  1  0     0  0
 13  9  1  0     0  0
 14  6  2  0     0  0
 15  6  1  0     0  0
 16 10  1  0     0  0
 17 10  1  0     0  0
 18  7  1  0     0  0
 19  7  1  0     0  0
 20 16  1  0     0  0
 21 17  1  0     0  0
 22 15  2  0     0  0
 23 14  1  0     0  0
 24 19  1  0     0  0
 25 18  1  0     0  0
 26 23  2  0     0  0
 27 25  1  0     0  0
 27 24  1  0     0  0
 26 22  1  0     0  0
M  END

$$$$
D0R1JV
  -OEChem-10121500442D

 49 53  0     0  0  0  0  0  0999 V2000
    7.0390    3.7478    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1669    2.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1730    0.2479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6671   -0.8470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833    3.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069    0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1730   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4409    0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -1.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390    0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390    1.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5749   -1.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9050    2.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4718   -2.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6370    2.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7710    1.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9050    3.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833    1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933   -2.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7710    3.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1669    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397   -2.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3322    1.3762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1207    1.6339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
  3 24  2  0  0  0  0
  4  8  1  0  0  0  0
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 10 33  1  0  0  0  0
 10 36  1  0  0  0  0
 11 34  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  2  0  0  0  0
 16 22  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  2  0  0  0  0
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 17 21  1  0  0  0  0
 18 41  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 26  2  0  0  0  0
 23 44  1  0  0  0  0
 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  2  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D0R1QE
  -OEChem-10111523542D

 33 33  0     1  0  0  0  0  0999 V2000
    4.5981    3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 33  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6 13  1  0  0  0  0
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  8 20  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END

$$$$
D0R1RS
  -OEChem-10111523362D

 41 43  0     0  0  0  0  0  0999 V2000
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    9.7599    1.3586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1813    4.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
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  2 25  1  0  0  0  0
  3 15  2  0  0  0  0
  4 19  1  0  0  0  0
  4 41  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
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 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
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 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D0R1WQ
  -OEChem-04152122232D

  2  1  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 Tl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  ISO  1   1 201
M  END

$$$$
D0R1WR
  -OEChem-10121501232D

 50 52  0     1  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4440   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3978   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3978   -0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3488   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3488   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8926    0.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    0.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1 45  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
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  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
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  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 17  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
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 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  2  0  0  0  0
 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
M  END

$$$$
D0R2KF
  -OEChem-10101305032D

 37 38  0     1  0  0  0  0  0999 V2000
    4.5411   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -2.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
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 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D0R2KJ
  -OEChem-10101305022D

 47 50  0     1  0  0  0  0  0999 V2000
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 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  END

$$$$
D0R2KY
  -OEChem-10121501072D

 60 63  0     1  0  0  0  0  0999 V2000
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   10.6087   -1.4638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1158   -0.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
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 20 23  1  0  0  0  0
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 21 25  3  0  0  0  0
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 23 53  1  0  0  0  0
 24 26  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
M  END

$$$$
D0R2OA
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    8.9942    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D0R3BC
  -OEChem-04152121562D

 42 35  0     0  0  0  0  0  0999 V2000
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  3 11  1  0  0  0  0
  3 15  2  0  0  0  0
  3 24  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  2  0  0  0  0
  5 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  CHG  8   1   3   6  -1   7  -1   8  -1   9  -1  10  -1  11  -1  12  -1
M  CHG  6  13  -1  38   1  39   1  40   1  41   1  42   1
M  ISO  1   1 153
M  END

$$$$
D0R3BV
  -OEChem-04152110492D

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M  END

$$$$
D0R3FP
  -OEChem-04152122232D

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 32 36  1  0  0  0  0
 32 37  1  0  0  0  0
 32 60  1  0  0  0  0
 33 38  1  0  0  0  0
 33 39  1  0  0  0  0
 33 61  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
 38 70  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
 39 73  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 40 74  1  0  0  0  0
 41 43  1  0  0  0  0
 41 75  1  0  0  0  0
M  END

$$$$
D0R3JB
  -OEChem-10121501202D

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    8.1232   -4.0545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232    4.0545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  2  0  0  0  0
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  3 53  1  0  0  0  0
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  8 13  1  0  0  0  0
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  8 35  1  0  0  0  0
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  9 30  1  0  0  0  0
  9 48  1  0  0  0  0
 10 25  1  0  0  0  0
 10 29  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 20  1  0  0  0  0
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 15 23  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 33  1  0  0  0  0
 21 25  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 41  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 32  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D0R3QY
  -OEChem-10121500292D

 20 19  0     1  0  0  0  0  0999 V2000
    2.5369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END

$$$$
D0R4DP
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    5.4926    0.7454    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3220   -1.7732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956   -2.1006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -0.0810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693   -0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5844    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D0R4HQ
  -OEChem-04152122302D

630641  0     1  0  0  0  0  0999 V2000
   31.0586   29.2434    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4415    5.5545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    7.6085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   28.2246   10.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2773  -28.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5217  -27.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    4.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7011   -2.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0378    5.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2031    7.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   32.7906   12.2434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792  -30.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0594    8.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7296  -26.9013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1204    6.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   23.1420    9.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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318622  1  0  0  0  0
319623  1  0  0  0  0
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320322  2  0  0  0  0
320625  1  0  0  0  0
321322  1  0  0  0  0
321626  1  0  0  0  0
M  END

$$$$
D0R4OM
  -OEChem-10111523412D

 52 55  0     0  0  0  0  0  0999 V2000
    6.3301   -3.2327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7243   -0.7052    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3636   -2.0726    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3569   -0.3444    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5702   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5702   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2554    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1306    3.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2520   -0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5319   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284   -1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  8 29  1  0  0  0  0
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  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  2  0  0  0  0
 20 46  1  0  0  0  0
 21 26  1  0  0  0  0
 21 47  1  0  0  0  0
 22 25  1  0  0  0  0
 22 28  1  0  0  0  0
 23 25  2  0  0  0  0
 23 48  1  0  0  0  0
 24 27  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END

$$$$
D0R4UW
  -OEChem-10121501032D

 40 42  0     0  0  0  0  0  0999 V2000
    5.5981    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8395   -1.4011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -1.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0250   -3.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4675   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9272    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
  7 20  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 37  1  0  0  0  0
  9 25  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END

$$$$
D0R4ZT
  -OEChem-10101305032D

 13  9  0     0  0  0  0  0  0999 V2000
    0.6160    0.5000    0.0000 Ga  0  1  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    4.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8660    4.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  2  0  0  0  0
 10 13  2  0  0  0  0
M  CHG  8   1   3   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1  11   1
M  CHG  2  12   1  13   1
M  END

$$$$
D0R5OS
  -OEChem-10101305022D

 60 63  0     1  0  0  0  0  0999 V2000
    2.8336   -1.2594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -5.0272    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.1485   -0.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8812   -4.1353    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4260   -3.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1691    0.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5271    4.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4332    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 10  1  6  0  0  0
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 10 48  1  0  0  0  0
 23 11  1  1  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 51  1  0  0  0  0
 26 29  2  0  0  0  0
 26 52  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 53  1  0  0  0  0
 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 31 55  1  0  0  0  0
 32 34  1  0  0  0  0
 33 56  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 58  1  0  0  0  0
 37 38  1  0  0  0  0
 37 59  1  0  0  0  0
 38 60  1  0  0  0  0
M  CHG  2   2   1   4  -1
M  END

$$$$
D0R5RR
  -OEChem-10121500582D

 31 33  0     1  0  0  0  0  0999 V2000
    2.0000   -0.6734    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
 13  2  1  6  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
 12  4  1  1  0  0  0
  4 28  1  0  0  0  0
  5 15  1  0  0  0  0
  5 29  1  0  0  0  0
 11  6  1  6  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 16  2  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 10 19  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  6  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
M  END

$$$$
D0R6BI
  -OEChem-04152109542D

 37 39  0     1  0  0  0  0  0999 V2000
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    2.6200   -1.7052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 35  1  0  0  0  0
  3 18  1  0  0  0  0
  3 36  1  0  0  0  0
  4 21  1  0  0  0  0
  4 37  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D0R6BR
  -OEChem-10101305022D

 34 34  0     0  0  0  0  0  0999 V2000
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    5.8520    2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    2.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 11  2  0  0  0  0
  3 16  2  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 34  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END

$$$$
D0R6HN
  -OEChem-04152108492D

  3  0  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 Sr  1  2  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  ISO  1   1  89
M  END

$$$$
D0R6IM
  -OEChem-10101305022D

 58 61  0     1  0  0  0  0  0999 V2000
    4.2690    1.3038    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -4.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497    5.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.1962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -3.1962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -4.6962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.6962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
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 10  4  1  1  0  0  0
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 11  5  1  1  0  0  0
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  7 24  1  0  0  0  0
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 19  8  1  1  0  0  0
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 10 12  1  0  0  0  0
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 19 44  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 24 51  1  0  0  0  0
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 26 28  2  0  0  0  0
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 27 31  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D0R6RC
  -OEChem-04152110382D

 56 59  0     1  0  0  0  0  0999 V2000
   10.5194   -2.0023    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    1.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1837   -1.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    2.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    2.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5194    2.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15  2  1  6  0  0  0
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 17  3  1  1  0  0  0
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 16 10  1  6  0  0  0
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 30 33  1  0  0  0  0
 32 33  2  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
M  END

$$$$
D0R6RO
  -OEChem-10111523272D

 40 43  0     1  0  0  0  0  0999 V2000
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    2.8430   -1.9740    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    4.6376   -1.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D0R6TI
  -OEChem-04152108392D

 35 35  0     1  0  0  0  0  0999 V2000
    0.5369    5.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0R7HO
  -OEChem-10121500302D

 45 46  0     0  0  0  0  0  0999 V2000
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 25 44  1  0  0  0  0
M  END

$$$$
D0R7JT
  -OEChem-10111523582D

 56 59  0     1  0  0  0  0  0999 V2000
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   10.5074    0.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4382    1.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
 11  2  1  6  0  0  0
  2 49  1  0  0  0  0
 14  3  1  1  0  0  0
  3 52  1  0  0  0  0
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 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  1  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 24  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 27  1  0  0  0  0
 24 26  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$
D0R7WU
  -OEChem-04152109342D

 27 28  0     1  0  0  0  0  0999 V2000
    3.2247    0.4962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    2.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4273   -0.6113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685   -1.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    0.2374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7958   -2.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5674   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0567    0.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537   -1.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8262   -1.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8680   -1.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4011    1.8814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D0R8ER
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    8.6651    1.2879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -0.7604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3933   -1.7671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.7709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613   -1.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5254   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9334    0.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0073   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6115   -0.1853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9291   -2.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5790   -2.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 19  2  0  0  0  0
  3 23  1  0  0  0  0
  3 40  1  0  0  0  0
  4 23  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 32  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 28  1  0  0  0  0
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 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

$$$$
D0R8PX
  -OEChem-04152109052D

 26 28  0     1  0  0  0  0  0999 V2000
    6.7889   -1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0619    0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783   -0.3805    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.6660    1.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  2  4  1  0  0  0  0
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  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
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  4 15  1  0  0  0  0
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  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
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  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END

$$$$
D0R8QG
  -OEChem-10121501542D

 65 69  0     0  0  0  0  0  0999 V2000
    3.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -6.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -7.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -7.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -6.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -8.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -9.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -8.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  2 28  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 17  2  0  0  0  0
  4 19  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 28  1  0  0  0  0
  7 27  2  0  0  0  0
  8 37  3  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 38  1  0  0  0  0
 10 12  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 26  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  2  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
 30 31  2  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 34  2  0  0  0  0
 32 62  1  0  0  0  0
 33 35  1  0  0  0  0
 33 63  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
 35 64  1  0  0  0  0
 36 65  1  0  0  0  0
M  END

$$$$
D0R9BG
  -OEChem-10101305022D

 10  9  0     0  0  0  0  0  0999 V2000
    2.5369    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END

$$$$
D0R9EQ
  -OEChem-10121501242D

 43 44  0     0  0  0  0  0  0999 V2000
    7.9939   -2.0530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.8577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.5296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.0547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.0547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -0.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593   -0.6813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    2.8394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.5296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.5296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.8394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -3.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.9101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.9840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.9840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.9101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  2  0  0  0  0
 12 18  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 19  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  2  0  0  0  0
 14 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END

$$$$
D0R9OH
  -OEChem-10101305032D

 28 29  0     0  0  0  0  0  0999 V2000
    3.0000    0.8038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    3.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.8038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    3.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    1.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    2.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.3862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.3862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9085    1.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784    1.9191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0598    2.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5080    3.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END

$$$$
D0R9VR
  -OEChem-10121500562D

 42 45  0     1  0  0  0  0  0999 V2000
    4.8885    0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6534    2.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2255   -1.9881    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.2493    0.0390    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7341    0.9612    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4664   -0.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2255   -0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1939    1.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5992   -0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6600   -1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4664   -1.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1942    1.8973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D0R9WP
  -OEChem-04152109192D

 53 56  0     1  0  0  0  0  0999 V2000
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 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END

$$$$
D0R9ZB
  -OEChem-10121501232D

 48 50  0     1  0  0  0  0  0999 V2000
    4.6660   -2.4827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 17 39  1  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
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 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END

$$$$
D0RA5Q
  -OEChem-04152109042D

 46 46  0     1  0  0  0  0  0999 V2000
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 11  1  1  6  0  0  0
  1 40  1  0  0  0  0
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  3 45  1  0  0  0  0
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 10  6  1  6  0  0  0
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 10 11  1  0  0  0  0
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 15 35  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
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 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 46  1  0  0  0  0
M  END

$$$$
D0RA9E
  -OEChem-10111523442D

 38 41  0     1  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D0RD5W
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
    6.3301   -1.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4768   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 11 32  1  0  0  0  0
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 14 36  1  0  0  0  0
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 16 37  1  0  0  0  0
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 18 40  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 44  1  0  0  0  0
M  END

$$$$
D0RE6T
          10191001312D 1   1.00000     0.00000     0

 40 43  0     1  0            999 V2000
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 18 19  1  0     0  0
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 11  6  1  0     0  0
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 29 39  1  0     0  0
 27  3  1  0     0  0
 15 18  1  0     0  0
  1 40  1  0     0  0
M  END

$$$$
D0RG3O
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
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 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END

$$$$
D0RM5Z
  -OEChem-03101900402D

296312  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0RM9Q
  -OEChem-04152109102D

 49 51  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0RN2W
  -OEChem-04152108442D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 K   0  4  0  0  0  0  0  0  0  0  0  0
M  RAD  1   1   2
M  END

$$$$
D0RQ2W
          07020900272D 1   1.00000     0.00000     0

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 33  9  1  0     0  0
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 50 52  1  0     0  0
 51 13  1  0     0  0
 52 12  1  0     0  0
 53 41  1  0     0  0
 54 40  1  0     0  0
M  CHG  1  46   3
M  END

$$$$
D0RU0O
  -OEChem-10191523072D

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 27 43  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  END

$$$$
D0RU6U
  -OEChem-02061504002D

 63 66  0     1  0  0  0  0  0999 V2000
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 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END

$$$$
D0RX3C
          11251000512D 1   1.00000     0.00000     0

 32 35  0     0  0            999 V2000
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  1  2  1  0     0  0
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  1  5  1  0     0  0
  2  6  2  0     0  0
  2  7  1  0     0  0
  3  8  2  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  5 11  3  0     0  0
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  7 13  2  0     0  0
  8 14  1  0     0  0
  9 15  2  0     0  0
 10 16  1  0     0  0
 12 17  2  0     0  0
 14 18  2  0     0  0
 16 19  1  0     0  0
 16 20  1  0     0  0
 19 21  1  0     0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
 24 26  1  0     0  0
 24 27  1  0     0  0
 25 28  1  0     0  0
 25 29  2  0     0  0
 26 30  1  0     0  0
 27 31  1  0     0  0
 30 32  1  0     0  0
 13 17  1  0     0  0
 15 18  1  0     0  0
 22 23  1  0     0  0
 31 32  1  0     0  0
M  END

$$$$
D0RX7Z
  -OEChem-04152108372D

 29 30  0     1  0  0  0  0  0999 V2000
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  1 11  1  0  0  0  0
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  2 24  1  0  0  0  0
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  3 26  1  0  0  0  0
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 11  5  1  6  0  0  0
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  6 16  2  0  0  0  0
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  7 28  1  0  0  0  0
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 10 12  1  6  0  0  0
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 11 20  1  0  0  0  0
 12 22  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D0S0AF
  -OEChem-04152108532D

 54 56  0     1  0  0  0  0  0999 V2000
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   10.3697    2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26 49  1  0  0  0  0
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 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D0S0AS
  -OEChem-04152108392D

 54 56  0     1  0  0  0  0  0999 V2000
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  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  2  0  0  0  0
  3 18  1  0  0  0  0
  3 51  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
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  7 28  1  0  0  0  0
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 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 49  1  0  0  0  0
 21 23  2  0  0  0  0
 21 50  1  0  0  0  0
 22 24  2  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D0S0ES
  -OEChem-08252108082D

 56 57  0     1  0  0  0  0  0999 V2000
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 12  9  1  1  0  0  0
 13  9  1  1  0  0  0
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 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 22  1  0  0  0  0
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 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 47  1  0  0  0  0
 24 27  2  0  0  0  0
 24 48  1  0  0  0  0
 25 29  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  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
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D0S0LZ
  -OEChem-10121500502D

 56 59  0     1  0  0  0  0  0999 V2000
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 13  1  1  6  0  0  0
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 14  2  1  6  0  0  0
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 15  9  1  6  0  0  0
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 10 30  1  0  0  0  0
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 15 36  1  0  0  0  0
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 21 23  1  0  0  0  0
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 23 30  1  0  0  0  0
 24 29  1  0  0  0  0
 25 38  1  0  0  0  0
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 25 40  1  0  0  0  0
 26 31  2  0  0  0  0
 26 43  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
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 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D0S0NK
  -OEChem-04152110322D

 74 77  0     1  0  0  0  0  0999 V2000
    6.0010   -1.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9561    3.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7107    4.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3671    1.0942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3671    1.0942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 28  5  1  1  0  0  0
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 30  6  1  6  0  0  0
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 27 62  1  0  0  0  0
 28 30  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 34  1  1  0  0  0
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 30 65  1  0  0  0  0
 31 33  1  0  0  0  0
 31 66  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 34 70  1  0  0  0  0
 34 71  1  0  0  0  0
M  END

$$$$
D0S1CQ
  -OEChem-04152108562D

 56 60  0     0  0  0  0  0  0999 V2000
    2.0000    3.2317    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.4909    1.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694   -4.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374    1.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9364    2.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3608    0.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9724   -3.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8384   -1.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9915   -1.5584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 27  2  0  0  0  0
  4 25  1  0  0  0  0
  4 29  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
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  7  9  1  0  0  0  0
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 15 41  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 21  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
 19 22  2  0  0  0  0
 19 45  1  0  0  0  0
 20 23  2  0  0  0  0
 20 46  1  0  0  0  0
 21 26  2  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 24 28  2  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END

$$$$
D0S1NZ
  -OEChem-10111523292D

 17 17  0     0  0  0  0  0  0999 V2000
    3.7320   -2.1550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -1.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D0S1OE
  -OEChem-10121504072D

 29 30  0     1  0  0  0  0  0999 V2000
    2.0000   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D0S1ZB
  -OEChem-10101305022D

 38 37  0     1  0  0  0  0  0999 V2000
   10.6603    0.3840    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1160    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3840    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    1.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    1.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155    0.5379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057    0.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    1.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  6 13  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D0S2BT
  -OEChem-04152122302D

 18 17  0     0  0  0  0  0  0999 V2000
    5.1350    2.9050    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END

$$$$
D0S2BV
  -OEChem-04152122292D

 24 25  0     1  0  0  0  0  0999 V2000
    4.6456    1.1138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    3.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.7525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.7230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5206    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    2.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7645    0.9014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.6032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.9129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    3.2894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.2894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3 12  2  0  0  0  0
  4 15  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
M  END

$$$$
D0S2IQ
  -OEChem-04152109082D

 36 35  0     1  0  0  0  0  0999 V2000
    3.5346    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5346    2.5289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7494    5.3332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.3678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.3678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610    8.4025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6671    6.8470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5312    8.3920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.8678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2690    6.3678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1350    7.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.8678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8671    6.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610    6.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6671    7.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8711    7.2928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    6.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    8.4504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    7.7602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.7478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    7.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.9878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    7.8678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.4878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    7.8678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028    6.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5288    9.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    8.0840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346    2.5289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  0  0  0  0
 12  3  1  1  0  0  0
  3 30  1  0  0  0  0
 14  4  1  1  0  0  0
  4 31  1  0  0  0  0
  5 18  2  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 26  1  0  0  0  0
  8 16  1  0  0  0  0
  8 19  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 32  1  0  0  0  0
 10 19  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  6  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D0S2JI
  SciTegic03291108492D

 22 23  0  0  1  0            999 V2000
    0.1713    0.5249    0.0000 Cl  0  0
   -1.2577   -0.3001    0.0000 S   0  0
   -1.9721    0.1124    0.0000 O   0  0
   -1.6702   -1.0145    0.0000 O   0  0
   -0.5432   -3.1876    0.0000 O   0  0
    0.8858   -4.0126    0.0000 N   0  0
    0.8858   -3.1876    0.0000 N   0  0
   -0.8452    0.4144    0.0000 N   0  0
   -0.5432   -0.7126    0.0000 C   0  0
    0.1713   -1.9501    0.0000 C   0  0
    0.1713   -0.3001    0.0000 C   0  0
   -0.5432   -1.5376    0.0000 C   0  0
    0.1713   -2.7751    0.0000 C   0  0
    0.8858   -1.5376    0.0000 C   0  0
    0.8858   -0.7126    0.0000 C   0  0
    1.6002   -4.4251    0.0000 C   0  0
    0.1713   -4.4251    0.0000 C   0  0
    1.6002   -5.2501    0.0000 C   0  0
    0.1713   -5.2501    0.0000 C   0  0
    0.8858   -5.6626    0.0000 C   0  0
    2.3147   -4.0126    0.0000 C   0  0
   -0.5432   -4.0126    0.0000 C   0  0
  1 11  1  0
  2  3  2  0
  2  4  2  0
  2  8  1  0
  2  9  1  0
  5 13  2  0
  6  7  1  0
  6 16  1  0
  6 17  1  0
  7 13  1  0
  9 11  1  0
  9 12  2  0
 10 12  1  0
 10 13  1  0
 10 14  2  0
 11 15  2  0
 14 15  1  0
 16 18  1  0
 16 21  1  0
 17 19  1  0
 17 22  1  0
 18 20  1  0
 19 20  1  0
M  END

$$$$
D0S2UG
  -OEChem-10121500552D

 31 31  0     1  0  0  0  0  0999 V2000
    3.7320    0.6900    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  2  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  3  0  0  0  0
 14 31  1  0  0  0  0
M  END

$$$$
D0S3NU
          08111101002D 1   1.00000     0.00000     0

 38 42  0     1  0            999 V2000
    3.0425   -1.9401    0.0000 O   0  0  0  0  0  0           0  0  0
    2.2291   -2.0282    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0577   -2.8351    0.0000 N   0  0  3  0  0  0           0  0  0
    2.7702   -3.2476    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3785   -2.6941    0.0000 C   0  0  2  0  0  0           0  0  0
    1.5123   -1.6157    0.0000 N   0  0  0  0  0  0           0  0  0
    0.8986   -2.1691    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2292   -2.9189    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0951   -2.2816    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8076   -2.6941    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5242   -2.2816    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5242   -1.4566    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2366   -1.0441    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9532   -1.4566    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9532   -2.2816    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2366   -2.6941    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6656   -1.0441    0.0000 N   0  0  3  0  0  0           0  0  0
    7.6656   -0.2191    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3822    0.1934    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0947   -0.2191    0.0000 C   0  0  3  0  0  0           0  0  0
    9.0947   -1.0441    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3822   -1.4566    0.0000 C   0  0  0  0  0  0           0  0  0
    9.8113    0.1934    0.0000 O   0  0  0  0  0  0           0  0  0
   10.5237   -0.2191    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2403    0.1934    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9527   -0.2191    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9527   -1.0441    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2403   -1.4566    0.0000 C   0  0  0  0  0  0           0  0  0
   10.5237   -1.0441    0.0000 C   0  0  0  0  0  0           0  0  0
   12.6693   -1.4566    0.0000 O   0  0  0  0  0  0           0  0  0
   13.3818   -1.0441    0.0000 C   0  0  3  0  0  0           0  0  0
   13.7943   -1.7607    0.0000 F   0  0  0  0  0  0           0  0  0
   12.9693   -0.3317    0.0000 F   0  0  0  0  0  0           0  0  0
   14.0984   -0.6316    0.0000 F   0  0  0  0  0  0           0  0  0
    0.0888   -1.9947    0.0000 N   0  3  0  0  0  0           0  0  0
   -0.1661   -1.2090    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.4259   -2.6369    0.0000 O   0  5  0  0  0  0           0  0  0
    3.8639   -3.3642    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  5  1  1  0     0  0
  7  6  1  0     0  0
  8  7  2  0     0  0
  6  2  2  0     0  0
  8  3  1  0     0  0
 12 11  1  0     0  0
 13 12  2  0     0  0
 14 13  1  0     0  0
 15 14  2  0     0  0
 16 15  1  0     0  0
 16 11  2  0     0  0
 10 11  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 21 20  1  0     0  0
 22 21  1  0     0  0
 22 17  1  0     0  0
 25 24  1  0     0  0
 26 25  2  0     0  0
 27 26  1  0     0  0
 28 27  2  0     0  0
 29 28  1  0     0  0
 29 24  2  0     0  0
 23 24  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 31 33  1  0     0  0
 31 34  1  0     0  0
 27 30  1  0     0  0
 20 23  1  0     0  0
 14 17  1  0     0  0
  9 10  1  0     0  0
  5  9  1  1     0  0
 36 35  2  0     0  0
 37 35  1  0     0  0
  7 35  1  0     0  0
  5 38  1  0     0  0
M  CHG  2  35   1  37  -1
M  END

$$$$
D0S3WH
  -OEChem-04152109072D

 42 45  0     1  0  0  0  0  0999 V2000
    4.3177    0.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7899    1.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5402    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4004   -1.8275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6664   -0.2988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7655    0.1351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7603   -1.3362    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8959   -0.4383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5674    0.1351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9042   -1.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657   -1.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6389   -1.8668    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1664    1.8919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1664    1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5237   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6330   -2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890    2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996    0.5039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3803   -0.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8780   -0.6561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436   -2.4339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3394   -2.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564    1.5948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9844    0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3491   -1.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963   -2.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1762   -2.1762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3044    2.4963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    2.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2755    0.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    0.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   -0.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130   -2.8632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6294   -3.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2530   -2.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9934    2.7288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5269    3.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7845    3.0048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  6  1  1  1  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4 15  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  1  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  1  0  0  0
  9 13  1  0  0  0  0
  9 17  1  1  0  0  0
  9 23  1  0  0  0  0
 10 24  1  6  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  6  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  1  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D0S4BR
  -OEChem-10121500552D

 13 13  0     0  0  0  0  0  0999 V2000
    4.5691   -0.2414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.5202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.0186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.1240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   -1.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.1402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290   -1.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
M  END

$$$$
D0S4QZ
  -OEChem-04152109332D

 33 31  0     1  0  0  0  0  0999 V2000
    3.4934   -0.4255    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    4.3024   -1.0133    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6844   -1.0133    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4056   -2.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    0.0084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3944    0.0084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9934    1.7651    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9934    1.7651    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9893    2.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    2.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3699    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6169    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -1.9644    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9934   -1.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5812   -2.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    1.9687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    1.9687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884    3.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    2.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175    2.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984    3.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9834    1.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8113    0.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1755    0.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035    1.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1486   -0.4246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9868    0.1911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382   -0.4246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058   -1.8674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0796   -3.1378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9456   -3.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828   -2.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  CHG  3   1   4   2  -1   3  -1
M  END

$$$$
D0S5CH
  -OEChem-10121501422D

 31 32  0     1  0  0  0  0  0999 V2000
    5.4071    1.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    3.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.6149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7891    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1505    0.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    1.9160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    3.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -3.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.7339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -2.8870    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
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D0S5CU
  -OEChem-10111523502D

 52 53  0     1  0  0  0  0  0999 V2000
    4.5981   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7942    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -0.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    0.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 22  1  0  0  0  0
  2 19  1  0  0  0  0
  2 28  1  0  0  0  0
  3 15  2  0  0  0  0
  4 19  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 30  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 20  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D0S5LD
  -OEChem-10191523082D

 63 67  0     0  0  0  0  0  0999 V2000
   10.5274    6.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    2.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    0.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7915    5.4259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.6922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -6.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9235    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6556    4.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7953    6.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9197    3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6633    6.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5235    5.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0517    3.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    0.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    2.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9038    0.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7137    5.5126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125    4.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2552    4.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0522    4.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5855    7.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1843    6.3206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1295    3.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    4.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7333    4.8358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1345    5.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0636    7.3959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2666    7.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   -1.2265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346   -1.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8419    4.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4407    3.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.3022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8393    2.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2754    3.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589   -2.4225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076    0.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4443    1.1781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000    1.4148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589   -3.8025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 22  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 31  1  0  0  0  0
  4 30  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 25  1  0  0  0  0
  7 19  2  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 30  1  0  0  0  0
  9 56  1  0  0  0  0
 10 33  2  0  0  0  0
 10 35  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  2  0  0  0  0
 12 35  1  0  0  0  0
 12 62  1  0  0  0  0
 12 63  1  0  0  0  0
 13 16  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 22  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 24  2  0  0  0  0
 21 28  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 27  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 28 29  2  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 32  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END

$$$$
D0S5LH
  -OEChem-10101305022D

 28 28  0     0  0  0  0  0  0999 V2000
    2.0000   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  CHG  1   2   1
M  END

$$$$
D0S5LO
  -OEChem-10191523072D

 50 53  0     1  0  0  0  0  0999 V2000
    9.7619    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.7320    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.2619   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7619   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.8660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7619    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8369    0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1793   -0.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3445    1.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9519   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9519   -3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519   -0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 12  1  0  0  0  0
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  9  3  1  1  0  0  0
  3 17  1  0  0  0  0
  3 37  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
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  6 22  1  0  0  0  0
  6 44  1  0  0  0  0
  7 28  3  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  1  0  0  0
  9 10  1  0  0  0  0
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  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
M  END

$$$$
D0S5NG
  SciTegic12111210002D

 24 26  0  0  0  0            999 V2000
    0.2167   -3.2625    0.0000 C   0  0
    0.8125   -2.1792    0.0000 C   0  0
    0.2042   -2.5500    0.0000 C   0  0
    0.4667   -4.3792    0.0000 S   0  0
    3.2667   -2.1500    0.0000 N   0  0
    0.7542   -3.7292    0.0000 C   0  0
   -0.3875   -3.6292    0.0000 C   0  0
   -0.2333   -4.3167    0.0000 C   0  0
    0.8042   -1.4667    0.0000 O   0  0
   -0.4208   -2.2000    0.0000 C   0  0
    1.4292   -2.5250    0.0000 O   0  0
    2.6500   -2.5042    0.0000 C   0  0
    2.0375   -2.1667    0.0000 C   0  0
    3.2625   -1.4417    0.0000 C   0  0
    3.8292   -2.5917    0.0000 C   0  0
   -1.0333   -2.5625    0.0000 C   0  0
   -0.4208   -1.4917    0.0000 C   0  0
    3.8167   -0.9917    0.0000 C   0  0
    4.5167   -2.4250    0.0000 C   0  0
   -1.6458   -2.2125    0.0000 C   0  0
   -1.0375   -1.1417    0.0000 C   0  0
    4.8167   -1.7792    0.0000 C   0  0
    4.5042   -1.1542    0.0000 C   0  0
   -1.6500   -1.5042    0.0000 C   0  0
  2  3  1  0
  3  1  1  0
  4  6  1  0
  5 12  1  0
  6  1  2  0
  7  1  1  0
  8  7  2  0
  9  2  2  0
 10  3  1  0
 11  2  1  0
 12 13  1  0
 13 11  1  0
 14  5  1  0
 15  5  1  0
 16 10  1  0
 17 10  1  0
 18 14  1  0
 19 15  1  0
 20 16  1  0
 21 17  1  0
 22 19  1  0
 23 18  1  0
 24 21  1  0
  8  4  1  0
 24 20  1  0
 22 23  1  0
M  END

$$$$
D0S5RZ
          01210517092D 1   1.00000     0.00000     0

 31 33  0     0  0            999 V2000
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    3.3667   -2.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4792   -3.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9167   -3.0917    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.0167   -2.6750    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3792   -3.0500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6417   -3.0250    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8750   -2.6667    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.4792   -3.7667    0.0000 O   0  0  0  0  0  0           0  0  0
    9.2500   -2.6667    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.3792   -3.6417    0.0000 O   0  0  0  0  0  0           0  0  0
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    1.8917   -1.9500    0.0000 C   0  0  0  0  0  0           0  0  0
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    9.8792   -3.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1167   -1.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    9.8625   -1.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2750   -4.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    9.8792   -3.7625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
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  5  1  1  0     0  0
  6  3  1  0     0  0
  7  4  1  0     0  0
  8  6  1  0     0  0
  9 10  1  0     0  0
 10 20  1  0     0  0
 11  9  1  0     0  0
 12  5  1  0     0  0
 13  8  1  0     0  0
 14  5  2  0     0  0
 15 11  1  0     0  0
 16  8  2  0     0  0
 17 10  2  0     0  0
 18 12  2  0     0  0
 19 12  1  0     0  0
 20 13  1  0     0  0
 21  2  1  0     0  0
 22 18  1  0     0  0
 23 19  2  0     0  0
 24 23  1  0     0  0
 25 15  1  0     0  0
 26 11  2  0     0  0
 27 15  2  0     0  0
 28 24  1  0     0  0
 29 25  1  0     0  0
 30 26  1  0     0  0
 31 30  2  0     0  0
  7  3  2  0     0  0
 22 24  2  0     0  0
 27 31  1  0     0  0
M  END

$$$$
D0S5UH
  -OEChem-10101305022D

 55 59  0     0  0  0  0  0  0999 V2000
    4.6660    5.0121    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
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 17 24  1  0  0  0  0
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 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 26  1  0  0  0  0
 19 40  1  0  0  0  0
 20 27  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
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 22 43  1  0  0  0  0
 23 29  2  0  0  0  0
 23 30  1  0  0  0  0
 24 44  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 45  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 29 31  1  0  0  0  0
 29 52  1  0  0  0  0
 30 32  2  0  0  0  0
 30 53  1  0  0  0  0
 31 33  2  0  0  0  0
 31 54  1  0  0  0  0
 32 33  1  0  0  0  0
 32 55  1  0  0  0  0
M  END

$$$$
D0S5WG
  -OEChem-10101305022D

 13 13  0     0  0  0  0  0  0999 V2000
    2.5369    1.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END

$$$$
D0S5YC
  -OEChem-04152108482D

 40 41  0     1  0  0  0  0  0999 V2000
    6.1420   -2.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0916    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1663    2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
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 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 37  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END

$$$$
D0S6JG
  -OEChem-10191522522D

 35 36  0     1  0  0  0  0  0999 V2000
    6.0010    1.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
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  3 21  1  0  0  0  0
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  5 34  1  0  0  0  0
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  7 23  1  0  0  0  0
  7 35  1  0  0  0  0
 10  8  1  1  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 17  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
M  END

$$$$
D0S7DV
  -OEChem-10101305032D

 29 30  0     1  0  0  0  0  0999 V2000
    5.0298    0.6634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3031   -3.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    2.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5398    3.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -2.4632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  9  3  1  1  0  0  0
  3 24  1  0  0  0  0
 10  4  1  1  0  0  0
  4 25  1  0  0  0  0
  5 13  1  0  0  0  0
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  6 17  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 13  1  6  0  0  0
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 12 14  1  0  0  0  0
 12 21  1  1  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D0S7JH
  -OEChem-10121501292D

 52 54  0     0  0  0  0  0  0999 V2000
    8.0622    3.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2617   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
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  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
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  3  9  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 20  1  0  0  0  0
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 23 27  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 30 32  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  2  0  0  0  0
 31 52  1  0  0  0  0
M  END

$$$$
D0S7LG
  -OEChem-10101305022D

 48 51  0     0  0  0  0  0  0999 V2000
    6.6844    0.5765    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5748   -0.4633    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4313    1.0720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3323    0.1820    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5414    2.1710    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4158   -1.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2111    3.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 16 39  1  0  0  0  0
 19 21  2  0  0  0  0
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 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 46  1  0  0  0  0
 33 47  1  0  0  0  0
 33 48  1  0  0  0  0
M  END

$$$$
D0S7VO
  -OEChem-10101305032D

 30 31  0     1  0  0  0  0  0999 V2000
    4.6456    0.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    1.7092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4903    2.7272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.0047    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3147    1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160    0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1546    0.9158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    2.5416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496   -0.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    0.3433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758    2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.3472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2560    2.2107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 30  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D0S7WX
  -OEChem-10191522542D

 51 51  0     0  0  0  0  0  0999 V2000
    8.1962    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -4.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4675   -5.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -5.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -5.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426   -4.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3291   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1760    0.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560   -0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0611    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    3.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881    2.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1181    4.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196    3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 51  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  2  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
M  END

$$$$
D0S8FU
          11280715522D 1   1.00000     0.00000     0

 19 18  0     0  0            999 V2000
   -6.0082   -0.1503    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2942    0.2630    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.5803   -0.1461    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8663    0.2673    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1523   -0.1420    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4383    0.2714    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7244   -0.1378    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0104    0.2756    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2964   -0.1336    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4176    0.2798    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1315   -0.1295    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8455    0.2839    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5595   -0.1253    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2741    0.2904    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2715    1.1171    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9914   -0.1206    0.0000 O   0  0  0  0  0  0           0  0  0
    4.7060    0.2949    0.0000 C   0  0  3  0  0  0           0  0  0
    5.4232   -0.1161    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7033    1.1216    0.0000 C   0  0  0  0  0  0           0  0  0
  9 10  1  0     0  0
  2  3  1  0     0  0
 10 11  1  0     0  0
  5  6  1  0     0  0
 11 12  1  0     0  0
  1  2  1  0     0  0
 12 13  1  0     0  0
  6  7  1  0     0  0
 13 14  1  0     0  0
  3  4  1  0     0  0
 14 15  2  0     0  0
  7  8  1  0     0  0
 14 16  1  0     0  0
 16 17  1  0     0  0
  8  9  1  0     0  0
 17 18  1  0     0  0
  4  5  1  0     0  0
 17 19  1  0     0  0
M  END

$$$$
D0S8LV
  -OEChem-10101305032D

 44 46  0     1  0  0  0  0  0999 V2000
    7.6567   -1.0450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040   -2.2577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3561   -3.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088   -3.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179   -1.5450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4931    1.4037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1976    2.9860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179   -0.5450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1096   -0.5408    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0690   -0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1096   -1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6567   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4040    0.1677    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1567   -0.1790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1513   -0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500    0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6648    1.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2229    2.2386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1328    3.6026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
 16  1  1  6  0  0  0
  2 12  2  0  0  0  0
 15  3  1  6  0  0  0
  3 39  1  0  0  0  0
  4 21  1  0  0  0  0
  4 40  1  0  0  0  0
  5 21  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  1  0  0  0  0
  8 22  2  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  6  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  1  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
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 13 14  2  0  0  0  0
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 15 20  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D0S8TD
  -OEChem-10121501192D

 37 37  0     1  0  0  0  0  0999 V2000
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 19 35  1  0  0  0  0
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 19 37  1  0  0  0  0
M  END

$$$$
D0S9AW
  -OEChem-04152110152D

103106  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0S9CB
  -OEChem-10121504072D

 49 52  0     0  0  0  0  0  0999 V2000
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 18 41  1  0  0  0  0
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 20 42  1  0  0  0  0
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 22 44  1  0  0  0  0
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 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D0S9ET
          11280715452D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
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   -1.4208   -0.5792    0.0000 N   0  0  3  0  0  0           0  0  0
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   -0.7083    0.6625    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0042    1.0750    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
  3  1  1  0     0  0
  4  9  2  0     0  0
  5  7  1  0     0  0
  6  3  2  0     0  0
  7  4  1  0     0  0
  8  1  2  0     0  0
  9  8  1  0     0  0
 10  5  2  0     0  0
 11 15  1  0     0  0
 12 16  1  0     0  0
 13  3  1  0     0  0
 14  5  1  0     0  0
 15  2  1  0     0  0
 16  2  1  0     0  0
 17  7  1  0     0  0
  6  4  1  0     0  0
 11 12  2  0     0  0
M  END

$$$$
D0S9MC
  -OEChem-10121501132D

 34 36  0     0  0  0  0  0  0999 V2000
    7.0444    0.0492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 17  2  0  0  0  0
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 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D0S9MU
  -OEChem-10121500322D

 39 41  0     0  0  0  0  0  0999 V2000
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    2.0000   -0.9675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0468   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 37  1  0  0  0  0
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 20 39  1  0  0  0  0
M  END

$$$$
D0S9QA
  -OEChem-10111523452D

 70 73  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0S9SD
  -OEChem-10101305032D

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M  END

$$$$
D0SC8F
  -OEChem-04152122252D

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 21 53  1  0  0  0  0
M  END

$$$$
D0SH3I
  -OEChem-10121500492D

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 27 53  1  0  0  0  0
M  END

$$$$
D0SL2V
  -OEChem-04152109182D

145153  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0SL8X
  -OEChem-10101305022D

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M  END

$$$$
D0SN9T
  -OEChem-10111523582D

 32 33  0     0  0  0  0  0  0999 V2000
    4.5981    3.0903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.0903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.0903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915   -2.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    0.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5903    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.2461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0903    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.4128   -2.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788   -2.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2049   -3.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -0.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294   -1.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9688   -3.1491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158   -2.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5984   -2.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0760   -3.6967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8113   -3.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5888   -2.0752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  2  0  0  0  0
  5 15  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 23  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 29  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 32  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END

$$$$
D0SP3D
  -OEChem-04152109082D

 89 95  0     1  0  0  0  0  0999 V2000
   12.9084    7.0045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8936    7.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    8.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0854   11.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3556    8.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746    5.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7744    7.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4084    7.8705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4084    6.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952    8.8313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0727   10.0006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067    5.2308    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.7348    6.7344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3948    1.0406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720    9.0057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7833    8.4210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5246    3.6893    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9999    8.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3907    4.1893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7959    9.8262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8669    7.2310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6066    5.2377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1620   10.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9847   10.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613    8.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5087    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2567    3.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7079   10.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7387    5.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3907    2.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2567    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627    6.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2785    5.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067    1.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146    2.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8746    1.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086   11.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6066    1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973   11.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7206   11.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0980   12.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8213   12.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0424    6.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7472    9.3544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9901    3.3751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341    8.5443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926    8.2085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1300    4.6086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2989    9.4637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0715    4.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030    4.2975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4101    3.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4688   10.9378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584   10.7609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835   10.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9097    6.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1114    6.2345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8673    3.5816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4688    4.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2706    7.0464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8602    9.6355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3262   10.2821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0558    6.3786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5362    5.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2697    6.1255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089    7.3939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    5.1802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8190    6.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    6.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813    2.4986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4925    1.9626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6808    0.4905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5111    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0685    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4319   11.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2236   11.2792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5950   13.1735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3867   12.8909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7324    7.0414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5054    6.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3524    5.9676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3114    7.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 48  1  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
 16  3  1  6  0  0  0
  3 72  1  0  0  0  0
  4 26  2  0  0  0  0
  5 27  2  0  0  0  0
  6 32  2  0  0  0  0
  7 89  1  0  0  0  0
 10 16  1  0  0  0  0
 10 20  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 11 26  1  0  0  0  0
 12 19  1  0  0  0  0
 12 28  1  0  0  0  0
 12 36  1  0  0  0  0
 21 13  1  6  0  0  0
 13 32  1  0  0  0  0
 13 66  1  0  0  0  0
 14 37  1  0  0  0  0
 14 39  1  0  0  0  0
 14 78  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 49  1  1  0  0  0
 17 19  1  0  0  0  0
 17 24  1  0  0  0  0
 17 30  1  0  0  0  0
 17 50  1  0  0  0  0
 18 25  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 29  1  0  0  0  0
 19 53  1  1  0  0  0
 20 26  1  0  0  0  0
 20 31  1  6  0  0  0
 20 54  1  0  0  0  0
 21 27  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  0  0  0  0
 22 28  1  0  0  0  0
 22 32  1  1  0  0  0
 22 55  1  0  0  0  0
 23 25  1  0  0  0  0
 23 58  1  0  0  0  0
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 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 29 34  1  0  0  0  0
 29 64  1  0  0  0  0
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 30 33  2  0  0  0  0
 30 38  1  0  0  0  0
 31 40  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 33 34  1  0  0  0  0
 33 37  1  0  0  0  0
 34 39  2  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 73  1  0  0  0  0
 36 74  1  0  0  0  0
 36 75  1  0  0  0  0
 37 41  2  0  0  0  0
 38 42  2  0  0  0  0
 38 76  1  0  0  0  0
 39 77  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  1  0  0  0  0
 41 42  1  0  0  0  0
 41 79  1  0  0  0  0
 42 80  1  0  0  0  0
 43 45  1  0  0  0  0
 43 81  1  0  0  0  0
 44 46  2  0  0  0  0
 44 82  1  0  0  0  0
 45 47  2  0  0  0  0
 45 83  1  0  0  0  0
 46 47  1  0  0  0  0
 46 84  1  0  0  0  0
 47 85  1  0  0  0  0
 48 86  1  0  0  0  0
 48 87  1  0  0  0  0
 48 88  1  0  0  0  0
M  END

$$$$
D0SQ1W
  -OEChem-04152122242D

  3  2  0     0  0  0  0  0  0999 V2000
    2.5369   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END

$$$$
D0SS4P
  -OEChem-10121501232D

 37 37  0     1  0  0  0  0  0999 V2000
    5.4641   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D0SV8E
  -OEChem-10191521252D

 55 57  0     1  0  0  0  0  0999 V2000
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    6.9350    1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7118   -2.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    2.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8579    0.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2414   -1.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
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 14  7  1  6  0  0  0
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 10 31  1  0  0  0  0
 10 33  2  0  0  0  0
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 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
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 16 22  1  0  0  0  0
 17 28  1  0  0  0  0
 17 37  1  0  0  0  0
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 18 26  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 29  2  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END

$$$$
D0SZ6E
  -OEChem-04152110432D

 62 64  0     0  0  0  0  0  0999 V2000
   11.8775    5.1452    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7435    5.6452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0115    4.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1 35  1  0  0  0  0
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 10 33  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 53  1  0  0  0  0
 29 31  2  0  0  0  0
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 30 54  1  0  0  0  0
 31 33  1  0  0  0  0
 31 55  1  0  0  0  0
 32 34  2  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
 34 58  1  0  0  0  0
 35 59  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
M  END

$$$$
D0T0KA
  -OEChem-10111523502D

 64 66  0     1  0  0  0  0  0999 V2000
    8.0622   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  1 23  1  0  0  0  0
  2 20  1  0  0  0  0
  2 32  1  0  0  0  0
  3 16  2  0  0  0  0
  4 20  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 37  1  0  0  0  0
  8 22  1  0  0  0  0
  8 26  1  0  0  0  0
  8 29  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
 17 24  1  0  0  0  0
 17 38  1  0  0  0  0
 18 25  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 27  2  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 33  1  0  0  0  0
 30 57  1  0  0  0  0
 31 34  2  0  0  0  0
 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 35  2  0  0  0  0
 33 62  1  0  0  0  0
 34 35  1  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END

$$$$
D0T0LM
  -OEChem-10121500052D

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    2.7690    2.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2318    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
  2 20  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
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 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 18  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 40  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END

$$$$
D0T0LU
  -OEChem-04152109182D

 46 48  0     1  0  0  0  0  0999 V2000
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    9.9892    1.0789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  9 18  1  1  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
M  CHG  2   2   1   5  -1
M  END

$$$$
D0T1EO
  -OEChem-04152109532D

 41 42  0     1  0  0  0  0  0999 V2000
    5.4641    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  2  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 11 22  1  0  0  0  0
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 13 28  1  0  0  0  0
 14 20  2  0  0  0  0
 14 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D0T1GT
  -OEChem-10101305032D

 34 35  0     0  0  0  0  0  0999 V2000
    4.5981    1.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  4 16  2  0  0  0  0
  5 11  1  0  0  0  0
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  6 10  1  0  0  0  0
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  7 10  2  0  0  0  0
  7 16  1  0  0  0  0
  8 19  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 11 20  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D0T1LK
  -OEChem-10101305032D

 40 41  0     1  0  0  0  0  0999 V2000
    3.4030    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.0253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 19  1  0  0  0  0
  2  5  1  0  0  0  0
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  3 35  1  0  0  0  0
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  5  8  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 10  1  0  0  0  0
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  7 24  1  0  0  0  0
  8 26  1  0  0  0  0
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 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END

$$$$
D0T1WN
  -OEChem-10121500232D

 44 46  0     0  0  0  0  0  0999 V2000
    4.2086    0.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8550    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D0T1XW
  -OEChem-10111523552D

 55 58  0     1  0  0  0  0  0999 V2000
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 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END

$$$$
D0T2IA
  -OEChem-10121501132D

 51 54  0     0  0  0  0  0  0999 V2000
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 24 51  1  0  0  0  0
M  END

$$$$
D0T2PL
  -OEChem-10191522592D

 74 76  0     1  0  0  0  0  0999 V2000
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 30 71  1  0  0  0  0
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M  END

$$$$
D0T2XU
  -OEChem-10121501232D

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M  END

$$$$
D0T3AD
  -OEChem-10121500282D

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M  END

$$$$
D0T3HY
  -OEChem-10121501422D

 42 45  0     1  0  0  0  0  0999 V2000
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    5.8652   -0.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8443   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7815    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502   -2.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523   -1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203    2.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8342   -2.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0488    0.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4668    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  1 42  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  1  0  0  0
  5 10  1  0  0  0  0
  5 21  1  1  0  0  0
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  8 13  1  0  0  0  0
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  9 14  2  0  0  0  0
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 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 41  1  0  0  0  0
M  END

$$$$
D0T3KI
  -OEChem-10121500242D

 48 50  0     0  0  0  0  0  0999 V2000
    3.7320   -0.6064    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2320    0.2596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0084   -2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6512    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9619    1.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6082    1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2510    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331   -0.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3181   -0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9114    0.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1552    1.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9908    1.7935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2120   -1.6064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8404    2.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4437    3.5898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
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  5 37  1  0  0  0  0
  6 23  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  1  0  0  0  0
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 13 15  2  0  0  0  0
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 15 19  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
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 22 43  1  0  0  0  0
 22 44  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
M  END

$$$$
D0T3LF
  -OEChem-10101305032D

 23 23  0     1  0  0  0  0  0999 V2000
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  2  1  1  1  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
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  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
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  4  6  2  0  0  0  0
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  5 14  1  0  0  0  0
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  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END

$$$$
D0T3NB
  -OEChem-10101305032D

 39 44  0     0  0  0  0  0  0999 V2000
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    3.8001   -1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0180   -5.1235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   -4.7033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 24  1  0  0  0  0
  2 18  1  0  0  0  0
  2 24  1  0  0  0  0
  3 20  1  0  0  0  0
  3 25  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  2  0  0  0  0
 12 26  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 16 29  1  0  0  0  0
 17 23  2  0  0  0  0
 17 30  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  CHG  1   5   1
M  END

$$$$
D0T3NY
  SciTegic01161211252D

 15 15  0  0  0  0            999 V2000
    5.3792   -4.6625    0.0000 N   0  0
    4.7542   -5.0167    0.0000 C   0  0
    6.0000   -5.0000    0.0000 C   0  0
    4.1375   -4.6667    0.0000 C   0  0
    4.7417   -5.7292    0.0000 O   0  0
    6.0125   -5.7250    0.0000 C   0  0
    3.5167   -5.0292    0.0000 C   0  0
    5.3792   -3.9417    0.0000 C   0  0
    6.6000   -4.6292    0.0000 C   0  0
    5.4167   -6.0917    0.0000 C   0  0
    6.6542   -6.0417    0.0000 C   0  0
    2.9000   -4.6917    0.0000 C   0  0
    5.9792   -3.5917    0.0000 C   0  0
    7.2375   -4.9625    0.0000 C   0  0
    7.2417   -5.6750    0.0000 C   0  0
  2  1  1  0
  3  1  1  0
  4  2  1  0
  5  2  2  0
  6  3  2  0
  7  4  2  0
  8  1  1  0
  9  3  1  0
 10  6  1  0
 11  6  1  0
 12  7  1  0
 13  8  1  0
 14  9  2  0
 15 14  1  0
 15 11  2  0
M  END

$$$$
D0T4WA
  -OEChem-04152108482D

 60 62  0     0  0  0  0  0  0999 V2000
   11.5884   -1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7166   -2.9425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1884   -0.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.4325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -1.4391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.4430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    2.6263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244   -1.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -1.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205   -1.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3205   -1.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4525   -1.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8171   -2.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8238   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3965    0.5376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994    0.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5142   -1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9100   -2.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704   -0.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5881   -2.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3851   -2.4123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0522   -2.4226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8492   -2.4256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2790   -2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -2.8586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3552   -2.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3619   -0.2766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5159   -0.0464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2857   -0.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7241   -1.2679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798    2.9425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4220   -1.3714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2460    2.5917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 19  1  0  0  0  0
  2 17  2  0  0  0  0
  3 18  1  0  0  0  0
  3 49  1  0  0  0  0
  4 25  1  0  0  0  0
  4 29  1  0  0  0  0
  5 27  1  0  0  0  0
  5 30  1  0  0  0  0
  6 28  1  0  0  0  0
  6 31  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 16  2  0  0  0  0
  9 20  1  0  0  0  0
 10 16  1  0  0  0  0
 10 22  2  0  0  0  0
 11 22  1  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
M  END

$$$$
D0T5BC
  -OEChem-04152110412D

 45 46  0     1  0  0  0  0  0999 V2000
    6.8671   -0.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    1.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6271    0.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3181    2.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3638    1.2735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    3.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0580    0.9134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3671    1.8644    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -1.1744    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -2.1744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.6744    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.3671    2.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5010    3.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 16  1  1  1  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
 13  4  1  1  0  0  0
  4 38  1  0  0  0  0
 15  5  1  1  0  0  0
  5 39  1  0  0  0  0
 17  6  1  6  0  0  0
  6 40  1  0  0  0  0
 18  7  1  1  0  0  0
  7 41  1  0  0  0  0
 19  8  1  1  0  0  0
  8 42  1  0  0  0  0
  9 21  1  0  0  0  0
  9 43  1  0  0  0  0
 10 22  1  0  0  0  0
 10 44  1  0  0  0  0
 11 23  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 21  1  1  0  0  0
 14 26  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 23  1  1  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D0T5DE
  SciTegic11301210262D

  6  4  0  0  0  0            999 V2000
    0.4375    0.5458    0.0000 S   0  0
    0.4375   -0.8667    0.0000 O   0  5
   -1.0000    0.5458    0.0000 O   0  5
    1.8792    0.5458    0.0000 O   0  0
    0.4375    1.9833    0.0000 O   0  0
   -1.8083   -1.8792    0.0000 Ba  0  2
  2  1  1  0
  3  1  1  0
  4  1  2  0
  5  1  2  0
M  CHG  3   2  -1   3  -1   6   2
M  END

$$$$
D0T5OX
  -OEChem-10121501242D

 55 56  0     0  0  0  0  0  0999 V2000
    2.7660    1.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    2.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554    3.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7397   -3.7392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718   -3.7392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718   -0.7392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718    2.1268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718    1.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378    0.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    0.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378   -0.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7057    1.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7397   -4.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 23  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  2  0  0  0  0
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  4 27  1  0  0  0  0
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 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
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 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 22  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 24  1  0  0  0  0
 19 42  1  0  0  0  0
 20 25  2  0  0  0  0
 20 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$
D0T5UL
  -OEChem-10101305032D

 39 40  0     1  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  2  0  0  0  0
 10 31  1  0  0  0  0
 11 15  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  2  0  0  0  0
 12 33  1  0  0  0  0
 13 17  2  0  0  0  0
 13 34  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END

$$$$
D0T5WK
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    2.0000   -2.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9123   -0.6327    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0405    0.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -2.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -0.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0444   -0.1360    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -1.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2742   -0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1896   -1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4039    3.4926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$
D0T5XN
  SciTegic11301210262D

 47 51  0  0  1  0            999 V2000
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   -1.8083    1.2333    0.0000 C   0  0
   -2.4458    0.8708    0.0000 C   0  0
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   -0.5375    1.9583    0.0000 C   0  0
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   -1.1833    2.3208    0.0000 C   0  0
   -1.1833    0.8708    0.0000 C   0  0
   -3.0833    1.9583    0.0000 C   0  0
    0.7042    1.9583    0.0000 C   0  0  2  0  0  0
    0.0792    0.8708    0.0000 C   0  0  2  0  0  0
    0.4292   -1.4917    0.0000 C   0  0
    0.0792    2.3208    0.0000 C   0  0
   -0.2000   -0.4125    0.0000 C   0  0
    1.2042   -1.6792    0.0000 N   0  0
    1.7917   -2.3167    0.0000 C   0  0
    0.4292   -0.7000    0.0000 C   0  0
   -0.8208   -0.7917    0.0000 O   0  0
    0.7042    1.2333    0.0000 C   0  0
   -0.1833   -1.8625    0.0000 C   0  0
   -0.8208   -1.5167    0.0000 C   0  0
    0.7167    2.8458    0.0000 C   0  0
   -0.1875    0.2583    0.0000 O   0  0
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   -2.4458    0.1458    0.0000 O   0  0
   -3.7208    0.8708    0.0000 C   0  0
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   -1.1833    3.0333    0.0000 O   0  0
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    1.5792    1.6458    0.0000 O   0  0
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   -4.3458    1.2333    0.0000 C   0  0
   -4.3208   -0.2000    0.0000 C   0  0
    4.3417   -1.7042    0.0000 C   0  0
    3.4042   -0.9250    0.0000 C   0  0
  2  1  2  0
  3  2  1  0
  4  1  1  0
  5  6  1  0
  6  8  2  0
  7 10  2  0
  8  1  1  0
  9  2  1  0
 10  4  1  0
 11 14  1  0
 12  5  1  0
 13 18  1  0
 14  6  1  0
 15 24  1  0
 16 13  1  0
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 18 15  1  0
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 20 11  1  0
 21 22  1  0
 22 19  1  0
 11 23  1  0
 12 24  1  6
 25 17  1  0
 26  4  2  0
 27  3  2  0
 28  7  1  0
 29 17  2  0
 30 23  2  0
 31 25  1  0
 32  8  1  0
 33  9  1  0
 11 34  1  6
 35 21  1  0
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 38 28  1  0
 39 23  1  0
 40 39  1  0
 41 22  1  0
 42 37  2  0
 43 31  1  0
 44 42  1  0
 45 38  1  0
 46 43  1  0
 47 43  1  0
  9  5  2  0
  3  7  1  0
 20 12  1  0
 44 28  2  0
 13 21  1  0
M  END

$$$$
D0T6EI
  -OEChem-03101900402D

 64 67  0     1  0  0  0  0  0999 V2000
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 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  END

$$$$
D0T6IP
  -OEChem-04152109222D

 61 62  0     1  0  0  0  0  0999 V2000
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 35 58  1  0  0  0  0
M  END

$$$$
D0T6QX
  -OEChem-10111523212D

 40 42  0     0  0  0  0  0  0999 V2000
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  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
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  5 11  2  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
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  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 20  2  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 16 22  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D0T6RC
  -OEChem-10121501412D

 45 49  0     1  0  0  0  0  0999 V2000
    2.2314   -0.1372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1607   -1.1411    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.6897   -0.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5133   -1.1411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -1.1411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3370   -0.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2392    0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   -2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3370    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   -2.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5918    0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133    0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8418   -1.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133    1.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0597   -1.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496   -1.3775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284   -1.4640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760    0.6366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6795    0.2987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7254   -2.6748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239   -1.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9476    0.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490    0.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -3.0426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0882   -3.0426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840    0.2157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4989    0.6449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3879   -2.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.3271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2957   -1.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0503    2.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    2.8077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
 12  2  1  6  0  0  0
  2 41  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  1  0  0  0
  7 12  1  0  0  0  0
  7 24  1  1  0  0  0
  8 13  1  0  0  0  0
  8 25  1  6  0  0  0
  9 15  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D0T6SU
  -OEChem-10101305022D

 31 32  0     1  0  0  0  0  0999 V2000
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  1  0  0  0
  3 15  1  0  0  0  0
  4  8  1  6  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  2  0  0  0  0
 11 28  1  0  0  0  0
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END

$$$$
D0T6VD
          11080800062D 1   1.00000     0.00000     0

 17 15  0     1  0            999 V2000
    5.5833    1.4167    0.0000 Sb  0  0  0  0  0  0           0  0  0
    4.9720    1.0589    0.0000 O   0  0  0  0  0  0           0  0  0
    6.1988    1.0661    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5792    2.1250    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2586    1.5664    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.6401    1.9118    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0318    1.5489    0.0000 C   0  0  1  0  0  0           0  0  0
    0.5866    1.8942    0.0000 C   0  0  1  0  0  0           0  0  0
    0.5940    2.6067    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0419    0.8406    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1956    1.5325    0.0000 C   0  0  2  0  0  0           0  0  0
    1.2144    0.8268    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8138    1.8784    0.0000 C   0  0  2  0  0  0           0  0  0
    1.8230    2.5891    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4225    1.5161    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0405    1.8622    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8669    1.9293    0.0000 C   0  0  0  0  0  0           0  0  0
  1  3  2  0     0  0
  8  9  1  1     0  0
  7 10  1  1     0  0
  1  4  1  0     0  0
  8 11  1  0     0  0
 11 12  1  1     0  0
 11 13  1  0     0  0
  6  5  1  0     0  0
 13 14  1  6     0  0
  1  2  2  0     0  0
 13 15  1  0     0  0
  6  7  1  0     0  0
 15 16  1  0     0  0
  5 17  1  0     0  0
  7  8  1  0     0  0
M  END

$$$$
D0T6WN
  -OEChem-10101305032D

 46 48  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 31  1  0  0  0  0
  2 15  2  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 40  1  0  0  0  0
  4 18  2  0  0  0  0
  4 20  1  0  0  0  0
  5 27  3  0  0  0  0
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  7  8  2  0  0  0  0
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 16 38  1  0  0  0  0
 17 20  2  0  0  0  0
 17 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 23 27  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  1  0  0  0  0
M  END

$$$$
D0T6WT
  -OEChem-10101305032D

 50 54  0     1  0  0  0  0  0999 V2000
    3.0974    0.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3794   -0.9511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2030   -0.4755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -0.9511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1052    0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5557    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4579    0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.9022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.5557   -2.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3794    1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5557    2.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9257   -1.6022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4944   -1.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0500    0.4057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2539   -2.1055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
 16  2  1  6  0  0  0
  2 24  1  0  0  0  0
  3 22  1  0  0  0  0
  3 26  1  0  0  0  0
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  6  9  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  1  0  0  0
  9 13  1  0  0  0  0
  9 29  1  6  0  0  0
 10 16  1  0  0  0  0
 10 30  1  1  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  2  0  0  0  0
 17 38  1  0  0  0  0
 18 22  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D0T6XX
  -OEChem-10121501222D

 41 43  0     1  0  0  0  0  0999 V2000
    8.8600    0.0000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3600    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3600   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3600    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7774   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9800   -0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1700   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3969    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1700    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3230    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3600    0.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800    0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3600    1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5 19  1  0  0  0  0
  5 25  1  0  0  0  0
  7 21  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
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 15 18  1  0  0  0  0
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 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
 17 31  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  END

$$$$
D0T7OW
  -OEChem-10121502022D

 22 22  0     0  0  0  0  0  0999 V2000
    4.2690    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3905   -1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
M  END

$$$$
D0T7US
  -OEChem-10121500432D

 54 56  0     0  0  0  0  0  0999 V2000
    7.8078   -1.6194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9635   -2.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693   -2.6757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0T7WL
          01210517122D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
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 12  9  1  0     0  0
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 14  4  2  0     0  0
 15  5  1  0     0  0
 16  6  1  0     0  0
 17  3  2  0     0  0
 18  7  1  0     0  0
 19  7  2  0     0  0
  5 20  1  6     0  0
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 22 25  2  0     0  0
 23 18  2  0     0  0
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 25 17  1  0     0  0
 26 23  1  0     0  0
 27 10  1  0     0  0
 15 13  1  0     0  0
 24 26  2  0     0  0
 14 22  1  0     0  0
M  END

$$$$
D0T7ZQ
  -OEChem-04152122232D

 49 52  0     1  0  0  0  0  0999 V2000
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 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END

$$$$
D0T8EH
  -OEChem-04152109102D

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 45 81  1  0  0  0  0
 45 82  1  0  0  0  0
M  END

$$$$
D0T8GD
  -OEChem-10111523512D

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 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END

$$$$
D0T8HZ
  -OEChem-03101900402D

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 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
M  END

$$$$
D0T8KD
          01230515352D 1   1.00000     0.00000     0

 22 25  0     0  0            999 V2000
    4.6667   -2.7875    0.0000 C   0  0  3  0  0  0           0  0  0
    5.2792   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6667   -3.4917    0.0000 N   0  0  3  0  0  0           0  0  0
    5.9000   -2.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2792   -1.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0542   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0167   -4.5792    0.0000 N   0  0  0  0  0  0           0  0  0
    6.5125   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2417   -3.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9000   -1.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0917   -3.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0542   -1.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5125   -1.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3125   -4.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0667   -1.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2917   -1.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9000   -3.5000    0.0000 Cl  0  0  0  0  0  0           0  0  0
    7.1292   -1.3667    0.0000 Cl  0  0  0  0  0  0           0  0  0
    3.4375   -2.7917    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.8167   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8167   -1.7250    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  2  0     0  0
  5  2  1  0     0  0
  6  1  1  0     0  0
  7  9  2  0     0  0
  8  4  1  0     0  0
  9  3  1  0     0  0
 10  5  2  0     0  0
 11  3  1  0     0  0
 12  6  2  0     0  0
 13 10  1  0     0  0
 14 11  2  0     0  0
 15  5  1  0     0  0
 16 12  1  0     0  0
 17  4  1  0     0  0
 18 13  1  0     0  0
 19  6  1  0     0  0
 20 12  1  0     0  0
 21 19  2  0     0  0
 22 21  1  0     0  0
 15 16  1  0     0  0
 14  7  1  0     0  0
 20 22  2  0     0  0
  8 13  2  0     0  0
M  END

$$$$
D0T8LY
  -OEChem-10101305032D

 42 42  0     1  0  0  0  0  0999 V2000
    2.2690    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3664    9.3278    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.0414    6.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    8.7400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9844    9.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754   10.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6754   10.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    7.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153    9.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094    7.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414    7.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094    6.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    5.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1350    1.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0010    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7278    8.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5508    9.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818   10.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106   10.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7724    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6720    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 39  1  0  0  0  0
  2 20  1  0  0  0  0
  2 40  1  0  0  0  0
  3 22  1  0  0  0  0
  3 41  1  0  0  0  0
  4 21  1  0  0  0  0
  4 42  1  0  0  0  0
  5 22  2  0  0  0  0
  6 21  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D0T8VY
          08191000062D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
    3.6750   -3.1917    0.0000 N   0  0  0  0  0  0           0  0  0
    3.0542   -3.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6792   -2.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5167   -2.1375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2917   -2.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3667   -2.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0542   -4.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4375   -3.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9000   -2.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5167   -1.4292    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3667   -3.1792    0.0000 O   0  0  0  0  0  0           0  0  0
    6.1417   -2.5000    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7542   -2.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6667   -4.6167    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.4417   -2.4875    0.0000 Cl  0  0  0  0  0  0           0  0  0
    7.9875   -2.1417    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8167   -4.2542    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.4375   -4.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2917   -1.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6792   -1.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0542   -1.4250    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  9  1  0     0  0
  5  3  1  0     0  0
  6 13  1  0     0  0
  7  2  2  0     0  0
  8  2  1  0     0  0
  9  5  1  0     0  0
 10  4  2  0     0  0
 11  6  2  0     0  0
 12  4  1  0     0  0
 13 12  1  0     0  0
 14  7  1  0     0  0
 15  8  1  0     0  0
 16  6  1  0     0  0
 17 19  1  0     0  0
 18  3  2  0     0  0
 19  8  2  0     0  0
 20  7  1  0     0  0
 21  5  2  0     0  0
 22 23  2  0     0  0
 23 18  1  0     0  0
 17 20  2  0     0  0
 21 22  1  0     0  0
M  END

$$$$
D0T8XB
  -OEChem-10101305022D

 53 55  0     1  0  0  0  0  0999 V2000
    4.4487   -1.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.9164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644    1.9164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -1.9164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1891   -0.1117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    0.5781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5000    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5468   -1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    1.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    0.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1891   -1.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7728   -0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7728   -0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0570    0.3559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3818   -2.3104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7728   -1.5364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3928   -0.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7728   -0.2964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 21  2  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  4 38  1  0  0  0  0
  5 17  1  0  0  0  0
  5 21  1  0  0  0  0
  5 47  1  0  0  0  0
  6 20  3  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 25  1  0  0  0  0
  8 24  2  0  0  0  0
  8 25  1  0  0  0  0
  9 27  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D0T9DT
  SciTegic01161211252D

 21 20  0  0  0  0            999 V2000
    7.6625   -5.1792    0.0000 C   0  0
    7.0750   -4.1167    0.0000 C   0  0
    6.4500   -5.1750    0.0000 C   0  0
    7.6750   -4.4750    0.0000 C   0  0
    7.0500   -5.5292    0.0000 C   0  0
    6.4542   -4.4667    0.0000 C   0  0
    8.2792   -5.5500    0.0000 C   0  0
    7.0792   -3.4042    0.0000 N   0  0
    5.8292   -5.5167    0.0000 N   0  0
    6.4667   -3.0417    0.0000 C   0  0
    5.2125   -5.1542    0.0000 C   0  0
    8.9000   -5.2000    0.0000 O   0  5
    8.2750   -6.2542    0.0000 O   0  0
    7.0417   -6.2375    0.0000 I   0  0
    8.2917   -4.1250    0.0000 I   0  0
    5.8375   -4.1000    0.0000 I   0  0
    6.4667   -2.3292    0.0000 O   0  0
    4.5917   -5.5042    0.0000 O   0  0
    9.6125   -5.2500    0.0000 Na  0  3
    5.8417   -3.3917    0.0000 C   0  0
    5.2167   -4.4417    0.0000 C   0  0
  2  4  2  0
  3  5  1  0
  4  1  1  0
  5  1  2  0
  6  3  2  0
  7  1  1  0
  8  2  1  0
  9  3  1  0
 10  8  1  0
 11  9  1  0
 12  7  1  0
 13  7  2  0
 14  5  1  0
 15  4  1  0
 16  6  1  0
 17 10  2  0
 18 11  2  0
 20 10  1  0
 21 11  1  0
  6  2  1  0
M  CHG  2  12  -1  19   1
M  ENDM  END

$$$$
D0T9TJ
  -OEChem-10121500352D

 88 88  0     1  0  0  0  0  0999 V2000
    8.0191   -0.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3992   -2.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7453   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0747    5.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
 11  2  1  6  0  0  0
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 22  6  1  1  0  0  0
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 19 24  1  0  0  0  0
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 33 35  1  0  0  0  0
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 34 85  1  0  0  0  0
 35 86  1  0  0  0  0
 35 87  1  0  0  0  0
 35 88  1  0  0  0  0
M  END

$$$$
D0TB1L
  -OEChem-04152122312D

  4  3  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 In  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  ISO  1   1 111
M  END

$$$$
D0TB8C
  -OEChem-10101305022D

 64 68  0     1  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
M  END

$$$$
D0TC7C
  -OEChem-10101305022D

 82 86  0     1  0  0  0  0  0999 V2000
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   17.6429    3.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 46 80  1  0  0  0  0
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 46 82  1  0  0  0  0
M  END

$$$$
D0TD1R
  -OEChem-03101900402D

 71 73  0     1  0  0  0  0  0999 V2000
   13.5974    3.3752    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
 38 70  1  0  0  0  0
M  END

$$$$
D0TG1H
  -OEChem-10111523542D

 30 31  0     0  0  0  0  0  0999 V2000
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 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D0TG7I
  -OEChem-04152109072D

149152  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0TK7R
  -OEChem-10191523082D

 63 65  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0TP2W
  -OEChem-10101305032D

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 46 47  1  0  0  0  0
 46 91  1  0  0  0  0
M  END

$$$$
D0TP8R
  -OEChem-04152108592D

 51 50  0     0  0  0  0  0  0999 V2000
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 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  ISO  2   1 131   2 131
M  END

$$$$
D0TQ1G
  -OEChem-10101305032D

 34 36  0     1  0  0  0  0  0999 V2000
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  9 28  1  0  0  0  0
 10 25  1  0  0  0  0
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 11 23  1  0  0  0  0
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 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END

$$$$
D0TR5X
  -OEChem-10111523382D

 40 41  0     1  0  0  0  0  0999 V2000
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 18 35  1  0  0  0  0
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 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D0TS1Z
  -OEChem-10121500282D

 28 29  0     1  0  0  0  0  0999 V2000
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 10  7  1  6  0  0  0
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 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D0TV0C
  -OEChem-04152110442D

143150  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0TV6I
  -OEChem-10121501542D

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M  END

$$$$
D0TV9K
  -OEChem-04152109052D

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   10.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5826   -1.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1200   -0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -0.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 21  1  0  0  0  0
 16 42  1  0  0  0  0
 17 22  1  0  0  0  0
 17 43  1  0  0  0  0
 18 23  2  0  0  0  0
 18 44  1  0  0  0  0
 19 24  2  0  0  0  0
 19 45  1  0  0  0  0
 20 27  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 25  2  0  0  0  0
 21 48  1  0  0  0  0
 22 26  2  0  0  0  0
 22 49  1  0  0  0  0
 23 25  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D0TY5N
  -OEChem-10101305032D

 25 26  0     1  0  0  0  0  0999 V2000
    2.6723    2.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.3261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5691    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3125    0.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8665    1.9938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.4815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  1  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END

$$$$
D0TZ1G
  -OEChem-10121500222D

 37 37  0     0  0  0  0  0  0999 V2000
    3.7320    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101    1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
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  3  5  1  0  0  0  0
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  4 36  1  0  0  0  0
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  5 18  1  0  0  0  0
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 10 29  1  0  0  0  0
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 13 32  1  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D0U0KW
  -OEChem-10111523272D

 40 42  0     1  0  0  0  0  0999 V2000
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  3 17  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  1  0  0  0
  4 20  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END

$$$$
D0U0OT
  -OEChem-10101305022D

 28 28  0     1  0  0  0  0  0999 V2000
    6.0010    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6210    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3 11  2  0  0  0  0
  4 14  1  0  0  0  0
  4 28  1  0  0  0  0
  7  5  1  1  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D0U0RZ
  -OEChem-10121501222D

 26 26  0     0  0  0  0  0  0999 V2000
    4.5981    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7690    2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6951    0.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420   -0.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  2  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END

$$$$
D0U0VU
  -OEChem-10121500312D

 67 69  0     1  0  0  0  0  0999 V2000
    6.3301   -6.1708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -6.5368    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -4.8047    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4528    5.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -4.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    3.6340    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4580    2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1851    4.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1636    4.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -5.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9189    2.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1842    4.1711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7774    4.7034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 35  1  0  0  0  0
  2 35  1  0  0  0  0
  3 35  1  0  0  0  0
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  7 34  1  0  0  0  0
  8 11  1  0  0  0  0
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  8 15  1  0  0  0  0
 21  9  1  1  0  0  0
  9 26  1  0  0  0  0
  9 49  1  0  0  0  0
 10 23  1  0  0  0  0
 10 59  1  0  0  0  0
 10 60  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 14  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
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 20 45  1  0  0  0  0
 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
 22 25  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
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 25 53  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 62  1  0  0  0  0
 31 33  1  0  0  0  0
 31 63  1  0  0  0  0
 32 33  2  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
M  END

$$$$
D0U0XD
  -OEChem-04152108392D

 65 69  0     1  0  0  0  0  0999 V2000
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   10.8321   -0.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -4.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288   -1.0443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9288   -2.0443    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628   -2.5443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1968   -2.0443    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750   -0.7396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628   -0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -2.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968   -1.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586   -1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2017    2.0853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 14  1  1  0  0  0
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 10 12  1  0  0  0  0
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 13 16  1  0  0  0  0
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 17 19  1  0  0  0  0
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 18 49  1  0  0  0  0
 19 22  2  0  0  0  0
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 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 23 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 28  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 29  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
M  END

$$$$
D0U1OE
  -OEChem-10111523202D

 51 54  0     1  0  0  0  0  0999 V2000
    4.6660   -3.2327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.2085    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    1.7673    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660   -1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4260   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781    1.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1894    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880   -0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
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  2 21  1  0  0  0  0
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 10 35  1  0  0  0  0
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 11 37  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 18  2  0  0  0  0
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 17 21  2  0  0  0  0
 17 42  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END

$$$$
D0U1OM
  -OEChem-10121501112D

 32 33  0     0  0  0  0  0  0999 V2000
    2.0000   -1.6550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 11  2  0  0  0  0
  3 17  1  0  0  0  0
  3 32  1  0  0  0  0
  4 17  2  0  0  0  0
  5  8  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D0U1ZD
  SciTegic01161211252D

 33 33  0  0  0  0            999 V2000
    5.1000   -4.6417    0.0000 C   0  0
    5.7167   -5.7250    0.0000 C   0  0
    4.4750   -5.7125    0.0000 C   0  0
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    4.4667   -4.9917    0.0000 C   0  0
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    5.1042   -3.9292    0.0000 N   0  0
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    4.5000   -3.5750    0.0000 C   0  0
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    6.9292   -3.6000    0.0000 O   0  0
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    6.3167   -3.9417    0.0000 C   0  0
  2  4  2  0
  3  5  1  0
  4  1  1  0
  5  1  2  0
  6  3  2  0
  7  1  1  0
  8  2  1  0
  9  3  1  0
 10  7  1  0
 11  8  1  0
 12  9  1  0
 13  8  2  0
 14  9  2  0
 15 10  2  0
 16  5  1  0
 17  6  1  0
 18  4  1  0
 19 11  1  0
 20 12  1  0
 21 19  1  0
 22 20  1  0
 23  7  1  0
 24 10  1  0
 25 21  1  0
 26 22  1  0
 27 24  1  0
 28 32  1  0
 29 31  1  0
 30 33  1  0
 31 22  1  0
 32 21  1  0
 33 23  1  0
  6  2  1  0
M  END

$$$$
D0U1ZV
  -OEChem-03101900402D

 81 83  0     0  0  0  0  0  0999 V2000
   12.6774    5.1116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    2.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6543    7.1114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    2.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4241   15.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8882   13.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   13.8796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1561   13.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2135    5.0715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2251    2.0023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8594    4.5644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3747    8.1314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1312    3.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0622    6.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7941    6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9224    7.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9953    4.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6427    8.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5029    8.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4913    9.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3515   10.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2348    8.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2233    9.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6731    5.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6669    2.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9526    4.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3437    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9152    7.7114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1771    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4239    8.6915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0334    7.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    4.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9509    9.9251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3444   10.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7566    9.9575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5591   15.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8872   15.0696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8882   12.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 20  1  0  0  0  0
  2 27  1  0  0  0  0
  3 29  1  0  0  0  0
  3 37  1  0  0  0  0
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  9 51  1  0  0  0  0
 10 17  1  0  0  0  0
 10 24  2  0  0  0  0
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 18 49  1  0  0  0  0
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 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
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 25 30  1  0  0  0  0
 25 54  1  0  0  0  0
 26 31  2  0  0  0  0
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 27 35  1  0  0  0  0
 27 56  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 58  1  0  0  0  0
 33 36  2  0  0  0  0
 33 59  1  0  0  0  0
 34 36  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
 36 65  1  0  0  0  0
 37 40  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 74  1  0  0  0  0
 42 44  2  0  0  0  0
 42 75  1  0  0  0  0
 43 44  1  0  0  0  0
 43 76  1  0  0  0  0
 44 77  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 45 79  1  0  0  0  0
 46 48  1  0  0  0  0
 46 78  1  0  0  0  0
M  END

$$$$
D0U2CV
  -OEChem-10101305032D

 30 31  0     0  0  0  0  0  0999 V2000
    3.7320    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.4453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1279   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7479   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 15  2  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 11 14  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END

$$$$
D0U2JP
  -OEChem-10121500482D

 43 45  0     1  0  0  0  0  0999 V2000
   12.2278    3.1029    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8677    1.8417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9666    2.4630    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8971    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1029    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1029    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    0.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065   -0.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901    0.3971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.4641   -0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    1.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
M  END

$$$$
D0U2OO
  -OEChem-10121500132D

 59 62  0     0  0  0  0  0  0999 V2000
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   13.8400   -1.8084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1554    0.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6677    0.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0826    0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
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 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
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 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 24  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
M  END

$$$$
D0U3CR
  -OEChem-10101305032D

 75 76  0     1  0  0  0  0  0999 V2000
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 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
M  END

$$$$
D0U3DU
  -OEChem-10121500342D

 31 32  0     1  0  0  0  0  0999 V2000
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 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D0U3EC
  -OEChem-10121500492D

 59 61  0     1  0  0  0  0  0999 V2000
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 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D0U3ED
  -OEChem-10191522562D

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 15 31  1  0  0  0  0
 16 21  2  0  0  0  0
 16 32  1  0  0  0  0
 17 24  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
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 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D0U3GL
  -OEChem-10121501092D

 52 55  0     1  0  0  0  0  0999 V2000
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    2.0000   -2.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3393    1.2257    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  9  1  1  1  0  0  0
  1 52  1  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  1  0  0  0  0
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 13 32  1  6  0  0  0
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 17 40  1  0  0  0  0
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 20 22  1  0  0  0  0
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 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
M  END

$$$$
D0U3IG
  -OEChem-04152108412D

 57 55  0     0  0  0  0  0  0999 V2000
    6.7821    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.5991    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7953    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5273    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2656    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3346    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
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  6  7  1  0  0  0  0
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 10 34  1  0  0  0  0
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 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END

$$$$
D0U3LS
  -OEChem-10121501262D

 35 38  0     0  0  0  0  0  0999 V2000
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  1 17  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END

$$$$
D0U3SY
  -OEChem-10191522582D

 70 75  0     0  0  0  0  0  0999 V2000
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 34 35  1  0  0  0  0
 34 70  1  0  0  0  0
 35 36  1  0  0  0  0
M  END

$$$$
D0U3YB
  -OEChem-04152108402D

 44 45  0     1  0  0  0  0  0999 V2000
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 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D0U3YU
  -OEChem-04152108452D

 49 51  0     1  0  0  0  0  0999 V2000
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  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 22  1  0  0  0  0
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 14  3  1  6  0  0  0
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 15  4  1  6  0  0  0
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 16  7  1  1  0  0  0
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 24 10  1  1  0  0  0
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 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 23  1  0  0  0  0
 20 38  1  0  0  0  0
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 23 25  2  0  0  0  0
 24 27  1  0  0  0  0
 24 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  CHG  2   1   1   5  -1
M  END

$$$$
D0U4CE
  -OEChem-10121500112D

 68 71  0     0  0  0  0  0  0999 V2000
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    6.6962    2.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8363    3.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6972    4.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8503    5.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6233    4.2780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6233    2.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4703    2.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6972    3.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -1.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  4 24  1  0  0  0  0
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  8 53  1  0  0  0  0
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 10 25  2  0  0  0  0
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 11 28  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 18  2  0  0  0  0
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 15 40  1  0  0  0  0
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 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
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 17 48  1  0  0  0  0
 18 21  1  0  0  0  0
 18 49  1  0  0  0  0
 19 22  2  0  0  0  0
 19 50  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  2  0  0  0  0
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 26 28  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  2  0  0  0  0
 29 33  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 32  2  0  0  0  0
 31 34  1  0  0  0  0
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 38 64  1  0  0  0  0
 39 65  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
M  END

$$$$
D0U4UQ
  -OEChem-10121500302D

 25 26  0     0  0  0  0  0  0999 V2000
    3.4030    1.2327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.8020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
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  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
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  3 15  1  0  0  0  0
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  9 22  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
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 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D0U4VT
  -OEChem-10121501262D

 19 19  0     0  0  0  0  0  0999 V2000
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    4.2601    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END

$$$$
D0U4XJ
  -OEChem-10121501302D

 30 32  0     1  0  0  0  0  0999 V2000
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  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
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  7 20  3  0  0  0  0
  8  9  1  0  0  0  0
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 18 21  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END

$$$$
D0U4YG
  -OEChem-04152108442D

132133  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0U5CE
  -OEChem-10111523492D

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M  END

$$$$
D0U5FF
  -OEChem-10111523232D

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M  END

$$$$
D0U5FS
  -OEChem-10121501572D

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M  END

$$$$
D0U5GB
  -OEChem-10101305032D

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M  END

$$$$
D0U5HU
  -OEChem-04152109042D

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  1  2  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END

$$$$
D0U5OB
  -OEChem-10111523442D

572580  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0U5OE
  -OEChem-10111523392D

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    8.9415   -3.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  2  0  0  0  0
 15 18  2  0  0  0  0
 15 35  1  0  0  0  0
 16 21  2  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D0U5QK
  -OEChem-10191522532D

 20 20  0     0  0  0  0  0  0999 V2000
    2.8660   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END

$$$$
D0U5RT
  -OEChem-10121500362D

 30 31  0     0  0  0  0  0  0999 V2000
    5.4641   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    0.7790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6120    0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320   -0.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3520    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9220    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D0U5SI
  -OEChem-10121500292D

 38 38  0     0  0  0  0  0  0999 V2000
    2.0000    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 32  1  0  0  0  0
  4 17  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
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  8 24  1  0  0  0  0
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  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
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 14 34  1  0  0  0  0
 15 17  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
M  END

$$$$
D0U5VZ
  -OEChem-10121501372D

 52 54  0     1  0  0  0  0  0999 V2000
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 14  2  1  6  0  0  0
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  3 52  1  0  0  0  0
  4 20  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 36  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 41  1  0  0  0  0
 15 20  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 44  1  0  0  0  0
 19 23  2  0  0  0  0
 19 45  1  0  0  0  0
 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
 22 25  2  0  0  0  0
 22 47  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 24 27  2  0  0  0  0
 24 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END

$$$$
D0U6LM
  -OEChem-10121500082D

 36 39  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2812    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.2349    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374   -1.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374    0.5824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9517   -2.7696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7384   -1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7139   -0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609   -0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3374    0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734   -2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235   -1.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7234    0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036    1.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2518   -3.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -1.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669    2.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9063    1.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0330    3.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725    2.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358    3.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195   -0.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0380   -1.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288   -2.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5925    0.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8226   -2.8379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044   -3.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6811   -3.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334   -2.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571    1.0458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3822    3.7228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    2.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668    3.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END

$$$$
D0U7BW
  -OEChem-04152108382D

 26 24  0     0  0  0  0  0  0999 V2000
    2.8850    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.0010    4.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    2.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7331    4.4030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    5.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2130    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    4.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D0U7GK
  -OEChem-10121501272D

 29 31  0     1  0  0  0  0  0999 V2000
    6.2619   -1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8695    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 15  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  2  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D0U7GP
  -OEChem-10101305022D

 50 54  0     1  0  0  0  0  0999 V2000
    9.7248   -0.3112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5596   -2.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860   -1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5124    0.9988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3170    0.9273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6200    0.1532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2962    1.3731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6028    0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875    1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3816    0.7181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3181    1.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6564    3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6782    3.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9393   -0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150    2.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0421    1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9988   -1.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616   -1.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334    3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    1.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820   -3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8784    1.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440   -0.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7226    0.7459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9878    0.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748   -0.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6005    2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0011    2.5353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9893    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    3.1536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6780    3.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1524    3.6038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5113    0.3788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076    1.0594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4516    1.9344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5766    1.8784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1881   -1.7079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5313    3.8966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9056    3.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942    1.9838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.8888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4618   -3.7649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3379   -3.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
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M  END

$$$$
D0U7SH
  -OEChem-04152108452D

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 59 64  1  0  0  0  0
 59116  1  0  0  0  0
 59117  1  0  0  0  0
 62 65  2  0  0  0  0
 62 66  1  0  0  0  0
 64 67  2  0  0  0  0
 64 68  1  0  0  0  0
 65 69  1  0  0  0  0
 65123  1  0  0  0  0
 66 70  2  0  0  0  0
 66124  1  0  0  0  0
 67 72  1  0  0  0  0
 67129  1  0  0  0  0
 68 73  2  0  0  0  0
 68130  1  0  0  0  0
 69 71  2  0  0  0  0
 69133  1  0  0  0  0
 70 71  1  0  0  0  0
 70134  1  0  0  0  0
 71135  1  0  0  0  0
 72 74  2  0  0  0  0
 72136  1  0  0  0  0
 73 74  1  0  0  0  0
 73137  1  0  0  0  0
M  END

$$$$
D0U8AT
  -OEChem-10101305022D

 39 37  0     0  0  0  0  0  0999 V2000
    3.7510    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    4.0010    4.4030    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.9030    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    4.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    3.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7331    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0991    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720    6.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0981    6.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  CHG  2   1  -1   7   1
M  END

$$$$
D0U8UV
  -OEChem-04152109042D

 61 63  0     0  0  0  0  0  0999 V2000
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    4.9674    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   11.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   10.8586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796   11.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810   12.3213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924   12.3463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909   11.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    9.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641   12.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    9.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5764    4.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
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  2 13  1  0  0  0  0
  3 21  2  0  0  0  0
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  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 30  1  0  0  0  0
  8 16  1  0  0  0  0
  8 31  1  0  0  0  0
  8 43  1  0  0  0  0
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  9 31  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 11 17  2  0  0  0  0
 11 19  1  0  0  0  0
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 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 16 21  1  0  0  0  0
 17 26  1  0  0  0  0
 17 39  1  0  0  0  0
 18 27  1  0  0  0  0
 18 40  1  0  0  0  0
 19 28  2  0  0  0  0
 19 41  1  0  0  0  0
 20 29  2  0  0  0  0
 20 42  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 32  2  0  0  0  0
 26 53  1  0  0  0  0
 27 33  2  0  0  0  0
 27 54  1  0  0  0  0
 28 32  1  0  0  0  0
 28 55  1  0  0  0  0
 29 33  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D0U9FD
  -OEChem-04152108532D

 60 63  0     1  0  0  0  0  0999 V2000
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   11.1777    4.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7925    5.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2328    6.3828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6310    2.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3623    7.2214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3573    5.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6520    7.9476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7766    3.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2168    8.3669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  1  0  0  0  0
  4 50  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 31  1  1  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 32  1  6  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 15  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 16  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
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 12 41  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 51  1  0  0  0  0
 22 26  1  0  0  0  0
 22 52  1  0  0  0  0
 23 27  2  0  0  0  0
 23 53  1  0  0  0  0
 24 28  2  0  0  0  0
 24 54  1  0  0  0  0
 25 29  2  0  0  0  0
 25 55  1  0  0  0  0
 26 30  2  0  0  0  0
 26 56  1  0  0  0  0
 27 29  1  0  0  0  0
 27 57  1  0  0  0  0
 28 30  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$
D0U9MR
  -OEChem-04152110432D

 43 44  0     1  0  0  0  0  0999 V2000
    3.3803    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0860    1.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428   -0.6532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4937   -0.3268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6276   -0.8268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3597   -0.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3597   -1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9937    0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276   -1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4937   -2.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9937    0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4937    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008    0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4937    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9937    2.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9937    2.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067    1.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670    2.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5717   -2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703   -1.7192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0907   -2.1368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4937   -2.9468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3037    0.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8737    1.4052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5251   -1.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6014   -1.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6844    2.5389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  2  0  0  0  0
  5  3  1  1  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  6  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END

$$$$
D0U9QU
  -OEChem-10101305022D

 49 48  0     0  0  0  0  0  0999 V2000
    3.5426    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    8.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5369    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 49  1  0  0  0  0
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 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 19 34  1  0  0  0  0
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 20 39  1  0  0  0  0
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 22 43  1  0  0  0  0
 22 44  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
M  END

$$$$
D0UA0I
  -OEChem-10101305022D

 59 63  0     1  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
M  END

$$$$
D0UA2Z
  -OEChem-10101305032D

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M  END

$$$$
D0UE9X
  -OEChem-10101305032D

 50 49  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0UF6M
  CDK    9/16/09,10:6

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  1  2  2  0  0  0  0 
 13 14  1  0  0  0  0 
  1  7  1  0  0  0  0 
 14 15  1  0  0  0  0 
  3  4  2  0  0  0  0 
 14 16  2  0  0  0  0 
M  END

$$$$
D0UF9W
  -OEChem-10121501002D

 80 79  0     1  0  0  0  0  0999 V2000
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   16.7224    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4545    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0885    4.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9248    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2549    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
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 10 32  1  0  0  0  0
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 11 34  1  0  0  0  0
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 15 13  1  6  0  0  0
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 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 22  1  0  0  0  0
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 20 23  1  0  0  0  0
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 21 25  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 26  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 32  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 34  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 34 73  1  0  0  0  0
 34 74  1  0  0  0  0
 35 75  1  0  0  0  0
 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
 36 78  1  0  0  0  0
 36 79  1  0  0  0  0
 36 80  1  0  0  0  0
M  END

$$$$
D0UL2L
          07091100302D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
    4.4042   -1.9125    0.0000 S   0  0  3  0  0  0           0  0  0
    3.7917   -2.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7917   -2.9750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0250   -2.9750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0250   -2.2667    0.0000 N   0  0  3  0  0  0           0  0  0
    4.4042   -3.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6417   -3.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1167   -2.0500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1167   -3.1917    0.0000 S   0  0  0  0  0  0           0  0  0
    2.7042   -2.6250    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2542   -2.9750    0.0000 N   0  0  0  0  0  0           0  0  0
    4.9042   -1.4042    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0500   -1.2917    0.0000 O   0  0  0  0  0  0           0  0  0
    6.8667   -3.3292    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.0917   -3.3250    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  6  4  2  0     0  0
  7  4  1  0     0  0
  8  2  1  0     0  0
  9  3  1  0     0  0
 10  8  2  0     0  0
 11  7  1  0     0  0
 12  1  2  0     0  0
 13  1  2  0     0  0
 14 11  1  0     0  0
 15  7  2  0     0  0
 16 14  1  0     0  0
 17  6  1  0     0  0
 18  5  1  0     0  0
 19 10  1  0     0  0
 20 16  2  0     0  0
 21 14  2  0     0  0
 22 23  2  0     0  0
 23 21  1  0     0  0
  3  6  1  0     0  0
 10  9  1  0     0  0
 20 22  1  0     0  0
M  END

$$$$
D0UL9R
  -OEChem-10121501032D

727729  0     1  0  0  0  0  0999 V2000
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   44.4352    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   39.2391   10.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.3731    6.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.9615  -20.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   57.4256  -21.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.1673   -6.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0UM7O
  -OEChem-10121500212D

 32 33  0     1  0  0  0  0  0999 V2000
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 16 32  1  0  0  0  0
M  END

$$$$
D0UO2P
  -OEChem-03141904472D

 64 69  0     1  0  0  0  0  0999 V2000
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  1 36  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
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  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
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  5 16  2  0  0  0  0
  5 28  1  0  0  0  0
  6 17  2  0  0  0  0
  6 25  1  0  0  0  0
  7 17  1  0  0  0  0
  7 26  2  0  0  0  0
 19  8  1  6  0  0  0
  8 53  1  0  0  0  0
  8 54  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
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 11 33  2  0  0  0  0
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 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 29  1  0  0  0  0
 23 30  2  0  0  0  0
 23 31  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 55  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 56  1  0  0  0  0
 31 35  2  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 36  2  0  0  0  0
 34 60  1  0  0  0  0
 35 36  1  0  0  0  0
 35 61  1  0  0  0  0
 37 62  1  0  0  0  0
 37 63  1  0  0  0  0
 37 64  1  0  0  0  0
M  END

$$$$
D0UP9M
  -OEChem-10101305032D

 70 66  0     1  0  0  0  0  0999 V2000
    9.5632    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5632    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5632    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    7.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    7.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   10.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1254    9.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    8.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    9.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5895    9.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5991    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3933    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5273    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9914    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8574    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    8.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9292    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7235    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4685    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7919    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9948    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1288    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9258    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8608    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6579    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0598    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2628    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1254    9.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5929    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3899    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2560    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3249    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1220    8.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263    7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1264    9.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5895    9.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5632    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5632    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 68  1  0  0  0  0
  2 69  1  0  0  0  0
  3 70  1  0  0  0  0
  4 27  1  0  0  0  0
  4 61  1  0  0  0  0
  5 26  2  0  0  0  0
  6 28  2  0  0  0  0
  7 20  1  0  0  0  0
  7 23  1  0  0  0  0
  7 49  1  0  0  0  0
  8 22  1  0  0  0  0
  8 28  1  0  0  0  0
  8 56  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 58  1  0  0  0  0
 10 24  1  0  0  0  0
 10 30  2  0  0  0  0
 11 29  1  0  0  0  0
 11 62  1  0  0  0  0
 11 63  1  0  0  0  0
 12 30  1  0  0  0  0
 12 64  1  0  0  0  0
 12 65  1  0  0  0  0
 13 30  1  0  0  0  0
 13 66  1  0  0  0  0
 13 67  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 22  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 24  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 26  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 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
 25 29  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 57  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
M  END

$$$$
D0UT4W
  -OEChem-03141904542D

 64 68  0     1  0  0  0  0  0999 V2000
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    4.3211    4.2051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 37  1  0  0  0  0
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 23 51  1  0  0  0  0
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 25 28  2  0  0  0  0
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 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 29  2  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 60  1  0  0  0  0
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 33 35  2  0  0  0  0
 33 62  1  0  0  0  0
 34 35  1  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  END

$$$$
D0UU9Y
  -OEChem-10101305032D

 44 45  0     0  0  0  0  0  0999 V2000
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   10.1851    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END

$$$$
D0UX6Z
  -OEChem-04152110092D

113115  0     1  0  0  0  0  0999 V2000
    4.5000    7.9941    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2331   10.6841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0297   10.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2331   14.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2533    0.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951   11.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    8.5310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4081   15.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5611   14.8041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7881   13.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9651    8.6841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257    0.7202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5023    0.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5632   10.8041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 27  2  0  0  0  0
  1 28  2  0  0  0  0
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 20101  1  0  0  0  0
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 22103  1  0  0  0  0
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 24104  1  0  0  0  0
 25105  1  0  0  0  0
 26 67  2  0  0  0  0
 29106  1  0  0  0  0
 32110  1  0  0  0  0
 33 69  1  0  0  0  0
 33111  1  0  0  0  0
 36 69  2  0  0  0  0
 37112  1  0  0  0  0
 38 70  2  0  0  0  0
 41113  1  0  0  0  0
 44 46  1  0  0  0  0
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 45 70  1  0  0  0  0
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 46 49  1  0  0  0  0
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 47 48  1  0  0  0  0
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 48 50  1  0  0  0  0
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 49 75  1  0  0  0  0
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 50 76  1  0  0  0  0
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 53 79  1  0  0  0  0
 54 80  1  0  0  0  0
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 56 58  1  0  0  0  0
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 57 62  1  0  0  0  0
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 58 60  1  0  0  0  0
 58 84  1  0  0  0  0
 59 68  1  0  0  0  0
 59 85  1  0  0  0  0
 60 64  1  0  0  0  0
 60 87  1  0  0  0  0
 61 88  1  0  0  0  0
 61 89  1  0  0  0  0
 62 63  1  0  0  0  0
 62 90  1  0  0  0  0
 63 65  1  0  0  0  0
 63 91  1  0  0  0  0
 64 92  1  0  0  0  0
 65 66  1  0  0  0  0
 65 93  1  0  0  0  0
 66 69  1  0  0  0  0
 66 94  1  0  0  0  0
 68 95  1  0  0  0  0
 68 96  1  0  0  0  0
 70 71  1  0  0  0  0
 71107  1  0  0  0  0
 71108  1  0  0  0  0
 71109  1  0  0  0  0
M  CHG  1   6   1
M  END

$$$$
D0V0IX
  -OEChem-10191522542D

 57 58  0     1  0  0  0  0  0999 V2000
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    5.5609   -1.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2216    2.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1295   -4.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1295   -2.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0997   -0.9234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0997   -1.9234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1487   -0.6144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5609   -1.4234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1487   -2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0459   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6295   -1.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8396    0.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6295   -1.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8615    0.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525    1.4956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1295   -2.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743    1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1295   -2.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653    2.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6295   -3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782    3.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6295   -3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1008   -0.0734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1008   -2.7734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5363   -0.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2794   -1.9758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6117   -2.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4008   -2.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5833   -0.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -0.0518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545    0.7974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2509   -1.9603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9395   -0.8865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4466    0.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1589    1.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5469   -2.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2372   -2.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    1.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5527    1.0839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7122   -2.0774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0219   -1.6788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793    2.7409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    3.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    2.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6732    2.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655    2.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0469   -3.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7372   -3.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.8999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9998    4.4332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8711    3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7495   -4.0215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  1  0  0  0
  2 35  1  0  0  0  0
 16  3  1  6  0  0  0
  3 47  1  0  0  0  0
  4 24  1  0  0  0  0
  4 57  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  6  0  0  0
  7 10  1  0  0  0  0
  7 27  1  6  0  0  0
  8  9  1  0  0  0  0
  8 13  1  6  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 34  1  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
M  END

$$$$
D0V0LB
  -OEChem-04152108422D

 11 10  0     0  0  0  0  0  0999 V2000
    2.5369    0.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END

$$$$
D0V1UW
  -OEChem-10121501002D

 33 34  0     0  0  0  0  0  0999 V2000
    4.5981   -3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
  6 16  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  CHG  2   7  -1   9   1
M  END

$$$$
D0V2DV
          11280715102D 1   1.00000     0.00000     0

  7  4  0     0  0            999 V2000
    5.7917   -6.8875    0.0000 P   0  0  3  0  0  0           0  0  0
    5.9500   -7.4750    0.0000 O   0  5  0  0  0  0           0  0  0
    5.6417   -6.3042    0.0000 O   0  5  0  0  0  0           0  0  0
    5.2125   -7.0417    0.0000 O   0  0  0  0  0  0           0  0  0
    6.3792   -6.7375    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5667   -5.1625    0.0000 Na  0  3  0  0  0  0           0  0  0
    6.6667   -7.8625    0.0000 Na  0  3  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  1  1  0     0  0
M  CHG  4   2  -1   3  -1   6   1   7   1
M  END

$$$$
D0V2GH
  -OEChem-10101305022D

 57 61  0     1  0  0  0  0  0999 V2000
    2.0000    5.0321    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5354   -2.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    1.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8795    1.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2835    0.0386    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.2715   -4.1516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    4.5422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4014   -1.5029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2674   -1.0029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4914   -0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4834    0.0455    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1334   -1.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4014   -2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3854    0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674   -3.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1334   -2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154    0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2835   -4.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4914   -3.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7514   -3.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3854   -4.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4834   -4.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6693   -1.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7328   -5.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436    2.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398    3.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    3.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    4.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0068   -0.5836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797   -0.8947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2868   -1.5814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9482   -0.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7440   -1.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455   -0.9203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7864    1.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9881    1.0423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044    0.6475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4056   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4590   -0.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6957    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8514    1.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9581   -2.6936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3692   -3.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3878   -5.1922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9452   -4.3593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9793   -0.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1324   -1.1929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3593   -2.0398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1827   -5.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0188   -5.5889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2829   -4.7528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361    3.2234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420    3.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296    5.6588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  8  2  1  6  0  0  0
  2 24  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  2  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  0  0  0  0
  6 18  1  0  0  0  0
  6 21  1  0  0  0  0
  6 25  1  0  0  0  0
  7 29  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  1  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  1  0  0  0
 11 35  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 21  2  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 23  2  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 31  2  0  0  0  0
 31 57  1  0  0  0  0
M  END

$$$$
D0V2JK
  -OEChem-10101305032D

 57 60  0     1  0  0  0  0  0999 V2000
    8.0319    1.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7423    1.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1931    3.1238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.5824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.4176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.9176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.8871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.4176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -0.9245    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931    1.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3340    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -1.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9204    0.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489   -3.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4996    3.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.2629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1285    1.5573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.4747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.3324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.4971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674   -0.0746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131    1.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0836   -2.2629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324    0.1063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    0.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -0.3031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -0.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -3.1358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4182   -0.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2839   -0.3223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4226    0.5434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -3.4893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6513   -4.1069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9152    3.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    3.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0839    3.0269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 26  1  0  0  0  0
  2 17  2  0  0  0  0
  3 25  2  0  0  0  0
  4 26  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  1  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 28  1  6  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  1  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  6  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 39  1  1  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 20  2  0  0  0  0
 16 43  1  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 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
 26 27  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
M  END

$$$$
D0V2OX
  -OEChem-10191521372D

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M  END

$$$$
D0V3GA
  -OEChem-10121500582D

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M  END

$$$$
D0V3YT
  -OEChem-10121501472D

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 36 79  1  0  0  0  0
 37 80  1  0  0  0  0
 37 81  1  0  0  0  0
 37 82  1  0  0  0  0
M  END

$$$$
D0V3ZA
  -OEChem-10111523232D

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 42 43  1  0  0  0  0
 42 79  1  0  0  0  0
 43 80  1  0  0  0  0
M  END

$$$$
D0V4GY
  -OEChem-10101305032D

 64 65  0     0  0  0  0  0  0999 V2000
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 29 33  2  0  0  0  0
 29 57  1  0  0  0  0
 30 34  2  0  0  0  0
 30 58  1  0  0  0  0
 31 33  1  0  0  0  0
 31 59  1  0  0  0  0
 32 34  1  0  0  0  0
 32 60  1  0  0  0  0
M  END

$$$$
D0V4IB
  -OEChem-04152109322D

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 49 86  1  0  0  0  0
 49 87  1  0  0  0  0
M  END

$$$$
D0V4QS
  -OEChem-04152108402D

 42 45  0     0  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
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  2  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D0V4TY
  -OEChem-04152110152D

 72 71  0     1  0  0  0  0  0999 V2000
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 38 40  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
M  END

$$$$
D0V4UF
  -OEChem-04152108502D

 48 49  0     0  0  0  0  0  0999 V2000
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 21 48  1  0  0  0  0
M  END

$$$$
D0V4WD
  -OEChem-10101305022D

 67 71  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0V4ZN
  -OEChem-10101305022D

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 52104  1  0  0  0  0
 52105  1  0  0  0  0
 53106  1  0  0  0  0
 54107  1  0  0  0  0
M  END

$$$$
D0V5IW
  CDK    9/16/09,10:5

 13 13  0  0  0  0  0  0  0  0999 V2000
   15.9346    0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5799   -0.2064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2682    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0483    1.0437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2242    1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1356    0.0883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9285   -0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5476    0.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5433   -1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0407   -0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2387   -1.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2021   -2.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9709   -1.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  1  6  1  0  0  0  0 
  3  4  2  0  0  0  0 
  2  9  1  0  0  0  0 
  4  5  1  0  0  0  0 
  3 10  1  0  0  0  0 
  5  1  2  0  0  0  0 
  9 11  1  0  0  0  0 
  1  2  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
M  CHG  1   6   1
M  CHG  1   8  -1
M  END

$$$$
D0V5ZZ
  -OEChem-10121500052D

 57 59  0     0  0  0  0  0  0999 V2000
    5.5321   -0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3981    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3981    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8981    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8981    3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3200    1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030   -1.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8678   -3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 28  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 29  1  0  0  0  0
  7 13  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 49  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 25  1  0  0  0  0
 20 51  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 22 26  1  0  0  0  0
 22 52  1  0  0  0  0
 23 27  1  0  0  0  0
 23 53  1  0  0  0  0
 24 26  2  0  0  0  0
 24 55  1  0  0  0  0
 25 27  2  0  0  0  0
 25 54  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D0V6OA
  -OEChem-04152122312D

100109  0     1  0  0  0  0  0999 V2000
    7.3197   -1.8797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2941   -3.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0V7CF
  -OEChem-10101305032D

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M  END

$$$$
D0V7OH
  -OEChem-10101305032D

 51 54  0     1  0  0  0  0  0999 V2000
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   13.1313   -1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9072   -1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 27  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 18  2  0  0  0  0
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  6 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 13  1  0  0  0  0
  8 34  1  0  0  0  0
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 10 28  1  0  0  0  0
 10 33  1  0  0  0  0
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 17 12  1  1  0  0  0
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 20 22  1  0  0  0  0
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 22 41  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 29  2  0  0  0  0
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 29 43  1  0  0  0  0
 31 32  1  0  0  0  0
 31 44  1  0  0  0  0
 32 33  2  0  0  0  0
 32 45  1  0  0  0  0
 33 46  1  0  0  0  0
 34 47  1  0  0  0  0
 34 48  1  0  0  0  0
 34 49  1  0  0  0  0
M  END

$$$$
D0V7RH
  -OEChem-04152109392D

 56 57  0     1  0  0  0  0  0999 V2000
    2.0000   -0.9466    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   13.9362   -0.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3218   -0.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1256   -1.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088   -0.1532    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8590    0.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1305   -1.9380    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6651   -3.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1878    0.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1878    2.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9478    2.9032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7179    2.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3218    1.3686    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3218    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4557    0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0538    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0538    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9478    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1878   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7237    0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8538    2.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7237   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3936   -0.6314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9916   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241   -1.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9916    0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577   -0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9153   -2.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002   -0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -2.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3218    0.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  2  0  0  0  0
  3 22  2  0  0  0  0
  4 32  2  0  0  0  0
  5 34  1  0  0  0  0
  6 34  2  0  0  0  0
  7 35  1  0  0  0  0
  8 35  2  0  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
  9 22  1  0  0  0  0
 10 17  1  0  0  0  0
 10 20  1  0  0  0  0
 10 41  1  0  0  0  0
 11 18  1  0  0  0  0
 11 23  1  0  0  0  0
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 12 20  1  0  0  0  0
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 13 21  1  0  0  0  0
 13 24  1  0  0  0  0
 13 44  1  0  0  0  0
 27 14  1  1  0  0  0
 14 32  1  0  0  0  0
 14 52  1  0  0  0  0
 15 24  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 30  1  0  0  0  0
 25 45  1  0  0  0  0
 26 31  2  0  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 34  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 33 35  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  CHG  3   1   2   5  -1   7  -1
M  END

$$$$
D0V7WS
  -OEChem-10111523172D

148152  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0V7XF
  -OEChem-10101305032D

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 22 53  1  0  0  0  0
 24 26  2  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END

$$$$
D0V8HA
  -OEChem-10121500162D

 33 34  0     1  0  0  0  0  0999 V2000
    3.7920   -1.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9336    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8766   -1.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
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 10 21  1  0  0  0  0
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 11 27  1  0  0  0  0
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 11 29  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
M  END

$$$$
D0V8HJ
  -OEChem-10121501452D

 66 69  0     0  0  0  0  0  0999 V2000
    3.3100   -3.8279    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.4343   -2.3587    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    0.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1934    4.6346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9215    3.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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 10 35  1  0  0  0  0
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 29 37  2  0  0  0  0
 31 32  2  0  0  0  0
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 33 34  2  0  0  0  0
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 34 36  1  0  0  0  0
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 38 60  1  0  0  0  0
 39 61  1  0  0  0  0
 39 62  1  0  0  0  0
 39 63  1  0  0  0  0
 40 64  1  0  0  0  0
 40 65  1  0  0  0  0
 40 66  1  0  0  0  0
M  END

$$$$
D0V8PA
  -OEChem-10101305032D

 33 32  0     0  0  0  0  0  0999 V2000
    5.6350   -1.3380    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  7 28  1  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
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 15 24  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D0V8QT
  -OEChem-10121501122D

 38 38  0     0  0  0  0  0  0999 V2000
    2.8660    4.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    3.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    4.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    4.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  3 19  1  0  0  0  0
  3 38  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 17  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 18  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D0V8TQ
  -OEChem-10101305032D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Al  0  0  0  0  0 15  0  0  0  0  0  0
M  END

$$$$
D0V9BD
  -OEChem-10111523582D

 43 44  0     1  0  0  0  0  0999 V2000
    8.9282   -2.0485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.0485    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4515    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.4515    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.4515    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -2.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -2.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -1.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0485    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622   -2.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -2.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    0.5715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 25  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  1  0  0  0  0
  5 28  1  0  0  0  0
  6 12  1  0  0  0  0
  6 36  1  0  0  0  0
  9 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 10 35  1  0  0  0  0
 11 29  3  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 23  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 38  1  0  0  0  0
 20 24  1  0  0  0  0
 20 39  1  0  0  0  0
 21 25  2  0  0  0  0
 21 40  1  0  0  0  0
 22 25  1  0  0  0  0
 22 41  1  0  0  0  0
 23 27  2  0  0  0  0
 23 42  1  0  0  0  0
 24 26  2  0  0  0  0
 24 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 43  1  0  0  0  0
M  END

$$$$
D0V9DZ
  -OEChem-04152122242D

 54 57  0     1  0  0  0  0  0999 V2000
    5.6489   -2.9775    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0319    2.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8722    2.1609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.0917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931    0.0917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.4083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610    0.0917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    1.3964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    1.0917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3931    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8076   -2.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -0.7535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3972    0.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    2.0667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 19  1  1  6  0  0  0
 11  2  1  6  0  0  0
  2 48  1  0  0  0  0
 13  3  1  1  0  0  0
  3 49  1  0  0  0  0
  4 21  2  0  0  0  0
  5 25  1  0  0  0  0
  5 54  1  0  0  0  0
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  8 14  1  0  0  0  0
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 10 13  1  0  0  0  0
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 10 30  1  6  0  0  0
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 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 20  1  0  0  0  0
 15 22  1  1  0  0  0
 15 23  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 26  2  0  0  0  0
 23 47  1  0  0  0  0
 24 27  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
M  END

$$$$
D0V9EN
  -OEChem-10101305032D

 21 21  0     0  0  0  0  0  0999 V2000
    2.5369   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D0V9JR
  -OEChem-04152108492D

 36 37  0     1  0  0  0  0  0999 V2000
    7.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4675   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END

$$$$
D0V9VG
  SciTegic07311313042D

 42 47  0  0  0  0            999 V2000
   11.3704    1.9481    0.0000 C   0  0
   12.0450    2.4230    0.0000 C   0  0
   10.6819    2.4026    0.0000 C   0  0  1  0  0  0
   10.7926    3.2201    0.0000 N   0  0
    9.8973    2.1476    0.0000 C   0  0  1  0  0  0
   10.0988    2.9476    0.0000 H   0  0
    9.6074    1.3752    0.0000 C   0  0
   10.0305    0.6670    0.0000 C   0  0
   11.1030   -0.2283    0.0000 O   0  0
   10.8481    0.5563    0.0000 C   0  0  1  0  0  0
   10.3193   -0.0770    0.0000 H   0  0
   12.1929    0.7796    0.0000 N   0  0
   11.4444    1.1264    0.0000 C   0  0
   12.8676    1.2545    0.0000 C   0  0
   12.7936    2.0762    0.0000 C   0  0
   11.9100   -0.3999    0.0000 C   0  0
   12.1649   -1.1845    0.0000 N   0  0
   12.4620    0.2132    0.0000 O   0  0
   11.8678   -2.5822    0.0000 C   0  0
   12.6748   -2.7537    0.0000 C   0  0
   12.9719   -1.3560    0.0000 C   0  0
   13.2268   -2.1406    0.0000 C   0  0
   12.9297   -3.5384    0.0000 N   0  0
   11.6129   -1.7976    0.0000 C   0  0
   13.7143   -3.7933    0.0000 C   0  0
   14.4288   -3.3808    0.0000 C   0  0
   13.7143   -4.6183    0.0000 C   0  0
   12.9297   -4.8732    0.0000 N   0  0
   14.4288   -5.0308    0.0000 N   0  0
   15.1433   -4.6183    0.0000 C   0  0
   15.1433   -3.7933    0.0000 C   0  0
    8.9884    4.1321    0.0000 C   0  0
    9.5585    3.5358    0.0000 C   0  0
    9.2197    4.9240    0.0000 F   0  0
    8.1869    3.9365    0.0000 C   0  0
    7.9555    3.1446    0.0000 C   0  0
    8.5257    2.5483    0.0000 C   0  0
    9.3271    2.7439    0.0000 C   0  0
   10.3600    3.7314    0.0000 F   0  0
   12.4448   -4.2058    0.0000 C   0  0
   11.4330    2.7438    0.0000 H   0  0
   11.6198   -4.2058    0.0000 O   0  0
  1  2  1  0
  1 13  2  0
  3  1  1  0
  2 15  2  0
  3  4  1  6
  5  3  1  0
  3 41  1  1
  5  6  1  6
  5 38  1  1
  7  5  1  0
  7  8  1  0
 10  8  1  0
 10  9  1  6
  9 16  1  0
 13 10  1  0
 10 11  1  1
 12 13  1  0
 14 12  2  0
 15 14  1  0
 16 18  2  0
 17 16  1  0
 17 21  1  0
 24 17  1  0
 19 20  1  0
 19 24  1  0
 22 20  1  0
 23 20  1  0
 21 22  1  0
 23 25  1  0
 40 23  1  0
 25 26  1  0
 25 27  2  0
 26 31  2  0
 27 28  1  0
 27 29  1  0
 40 28  1  0
 29 30  2  0
 31 30  1  0
 32 33  1  0
 32 35  2  0
 34 32  1  0
 33 38  2  0
 39 33  1  0
 35 36  1  0
 36 37  2  0
 38 37  1  0
 40 42  2  0
M  END

$$$$
D0V9WF
  -OEChem-10121500402D

 54 61  0     1  0  0  0  0  0999 V2000
    4.6943    2.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891   -0.8312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6620    0.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4084   -0.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826   -0.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826    1.2882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7714   -1.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    0.9222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3846    0.1634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9577    1.8881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1258    1.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826   -0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0894   -1.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710   -0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1241    0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4366   -1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6649    1.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3084   -2.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6451    3.3013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  9  2  1  6  0  0  0
  2 42  1  0  0  0  0
  3 16  1  0  0  0  0
  3 50  1  0  0  0  0
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  5  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 34  1  6  0  0  0
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 13 17  1  0  0  0  0
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 14 21  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  2  0  0  0  0
 19 23  1  0  0  0  0
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 20 28  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 26  1  0  0  0  0
 23 29  2  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 30  1  0  0  0  0
 25 45  1  0  0  0  0
 27 32  1  0  0  0  0
 27 46  1  0  0  0  0
 28 31  1  0  0  0  0
 28 47  1  0  0  0  0
 29 33  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 33  2  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END

$$$$
D0V9YR
  -OEChem-10101305032D

 33 34  0     0  0  0  0  0  0999 V2000
    3.0000    0.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D0V9ZG
  -OEChem-04152110142D

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M  END

$$$$
D0VA0I
  -OEChem-10191522552D

 69 73  0     1  0  0  0  0  0999 V2000
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 35 68  1  0  0  0  0
 36 69  1  0  0  0  0
M  END

$$$$
D0VB0U
  -OEChem-04152110472D

 24 24  0     1  0  0  0  0  0999 V2000
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 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
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 12 23  1  0  0  0  0
M  END

$$$$
D0VB3Y
  -OEChem-04152122252D

  6  4  0     0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
M  CHG  3   1   2   3  -1   4  -1
M  END

$$$$
D0VF4H
  -OEChem-04152110122D

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 85173  1  0  0  0  0
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 87 89  2  0  0  0  0
 87175  1  0  0  0  0
 88 90  2  0  0  0  0
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 91177  1  0  0  0  0
 91178  1  0  0  0  0
 91179  1  0  0  0  0
 92180  1  0  0  0  0
 92181  1  0  0  0  0
 92182  1  0  0  0  0
M  CHG  3   1   2  13  -1  18  -1
M  END

$$$$
D0VG7Y
  -OEChem-03101900402D

 75 77  0     1  0  0  0  0  0999 V2000
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 30 40  1  0  0  0  0
 31 45  1  0  0  0  0
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 33 42  2  0  0  0  0
 33 64  1  0  0  0  0
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 35 37  2  0  0  0  0
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 36 37  1  0  0  0  0
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 38 43  2  0  0  0  0
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 44 72  1  0  0  0  0
 46 73  1  0  0  0  0
 46 74  1  0  0  0  0
 46 75  1  0  0  0  0
M  CHG  2   1   1  10  -1
M  END

$$$$
D0VL8Q
  SciTegic11301210262D

 34 35  0  0  0  0            999 V2000
    2.4625   -0.5875    0.0000 C   0  0
    2.4625    0.2125    0.0000 C   0  0
    3.1375    1.3458    0.0000 C   0  0
    3.1375    0.5958    0.0000 N   0  0
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    1.7875    0.5958    0.0000 C   0  0
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    1.1167    0.2125    0.0000 C   0  0
   -2.9958   -0.6042    0.0000 N   0  0
   -0.2333   -0.5875    0.0000 C   0  0
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    1.1167   -0.5875    0.0000 C   0  0
   -0.2333    0.2125    0.0000 C   0  0
    0.4375   -0.9875    0.0000 C   0  0
   -0.9333   -1.0042    0.0000 O   0  0
   -1.6208   -0.6042    0.0000 C   0  0
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   -2.3208   -1.0042    0.0000 C   0  0
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   -2.9958    0.1958    0.0000 C   0  0
   -3.6708   -1.0042    0.0000 C   0  0
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   -2.3208    0.5708    0.0000 C   0  0
   -4.3458   -0.6042    0.0000 C   0  0
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    1.7250    2.8458    0.0000 C   0  0
    1.0542    1.6833    0.0000 C   0  0
    1.0542    2.4375    0.0000 C   0  0
  2  1  1  0
  3  4  1  0
  4  2  1  0
  5  1  1  0
  6  2  1  0
  7  1  2  0
  8  3  2  0
  9  3  1  0
 10  6  1  0
 11 21  1  0
 12 16  2  0
 13 10  1  0
 14 10  2  0
 15 13  2  0
 16 14  1  0
 17 12  1  0
 18 17  1  0
 19  5  1  0
 20  5  1  0
 21 18  1  0
 22  9  2  0
 23  9  1  0
 24 11  1  0
 25 11  1  0
 26 20  1  0
 27 19  1  0
 28 24  1  0
 29 25  1  0
 30 27  1  0
 31 26  1  0
 32 23  2  0
 33 22  1  0
 34 32  1  0
 15 12  1  0
 33 34  2  0
M  END

$$$$
D0VM2L
  -OEChem-10101305032D

 26 26  0     0  0  0  0  0  0999 V2000
    3.1200   -1.1166    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -1.4826    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -1.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -2.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520   -0.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9463   -2.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1440   -2.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    0.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.4223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6611    1.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430    1.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0641   -0.6992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4626   -0.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    0.7864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2507    1.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4534    1.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -2.2366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6060   -2.3486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890   -1.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    2.9239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  2  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D0VM8K
  -OEChem-04152122232D

 26 23  0     1  0  0  0  0  0999 V2000
    8.5991    1.2500    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.2690   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  3  1  1  0  0  0
  3 22  1  0  0  0  0
 11  4  1  1  0  0  0
  4 23  1  0  0  0  0
 12  5  1  6  0  0  0
  5 24  1  0  0  0  0
 13  6  1  1  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 26  1  0  0  0  0
  8 15  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  CHG  3   1   3   2   1   8  -1
M  END

$$$$
D0VP1V
  -OEChem-10111523122D

 63 67  0     1  0  0  0  0  0999 V2000
    4.2112    6.0509    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8387    3.9373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7796   -3.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8830   -0.6457    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1418    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9052    1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -1.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7149   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  1 29  1  0  0  0  0
  2 21  1  0  0  0  0
  2 30  1  0  0  0  0
 12  3  1  6  0  0  0
  3 18  1  0  0  0  0
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  4 22  1  0  0  0  0
  5 18  2  0  0  0  0
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  6 52  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 14  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
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 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 54  1  0  0  0  0
 24 28  1  0  0  0  0
 24 53  1  0  0  0  0
 25 31  1  0  0  0  0
 25 55  1  0  0  0  0
 26 32  2  0  0  0  0
 26 56  1  0  0  0  0
 27 29  2  0  0  0  0
 27 57  1  0  0  0  0
 28 30  2  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 33  2  0  0  0  0
 31 61  1  0  0  0  0
 32 33  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  CHG  1   7   1
M  END

$$$$
D0VR7W
  -OEChem-10101305032D

 48 51  0     1  0  0  0  0  0999 V2000
    8.6651    1.9349    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6517    0.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6651   -0.1134    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.8950   -0.1239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2414   -0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1405   -2.3434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 26 42  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D0VT8P
  -OEChem-10101305022D

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M  END

$$$$
D0VU2X
  -OEChem-10111523422D

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 38 64  1  0  0  0  0
M  END

$$$$
D0VU8Q
  -OEChem-10101305022D

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 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
M  END

$$$$
D0W0BF
  -OEChem-10121500322D

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M  END

$$$$
D0W0DY
          01210517072D 1   1.00000     0.00000     0

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M  END

$$$$
D0W0MF
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M  END

$$$$
D0W1DI
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 35 36  1  0     0  0
 36 37  1  0     0  0
 37 34  1  0     0  0
M  END

$$$$
D0W1QI
  SciTegic11301210262D

 21 22  0  0  0  0            999 V2000
   11.0728    0.3207    0.0000 S   0  0
   10.3719   -0.0877    0.0000 C   0  0
   11.7969   -0.0877    0.0000 N   0  0
    8.2605    0.3207    0.0000 S   0  0
    8.9643   -0.0877    0.0000 C   0  0
   10.3719   -0.9131    0.0000 C   0  0
    9.6681    0.3207    0.0000 C   0  0
   11.0728   -1.3273    0.0000 N   0  0
   11.7969   -0.9131    0.0000 C   0  0
    8.9643   -0.9131    0.0000 C   0  0
    9.6681   -1.3273    0.0000 C   0  0
   10.6384    0.9984    0.0000 O   0  0
   11.6811    0.8797    0.0000 O   0  0
    7.8869   -0.3657    0.0000 O   0  0
    7.4959    0.7204    0.0000 O   0  0
    8.6602    1.0419    0.0000 N   0  0
   12.5268   -1.3273    0.0000 C   0  0
   12.5268   -2.1523    0.0000 C   0  0
   13.2413   -2.5648    0.0000 C   0  0
   11.8124   -2.5648    0.0000 C   0  0
    8.2482   -1.3227    0.0000 Cl  0  0
  2  1  1  0
  3  1  1  0
  4  5  1  0
  5  7  2  0
  6  2  2  0
  7  2  1  0
  8  9  1  0
  9  3  1  0
 10  5  1  0
 11  6  1  0
 12  1  2  0
 13  1  2  0
 14  4  2  0
 15  4  2  0
 16  4  1  0
 17  9  1  0
  6  8  1  0
 11 10  2  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 10 21  1  0
M  END

$$$$
D0W1RY
  -OEChem-04152122232D

 26 25  0     1  0  0  0  0  0999 V2000
    5.6720    2.8100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4030    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    4.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    4.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    3.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450    4.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 12  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
M  END

$$$$
D0W2AN
  -OEChem-04152108502D

 49 50  0     1  0  0  0  0  0999 V2000
    2.8660    1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    3.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    2.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    1.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    0.3470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 14 18  2  0  0  0  0
 14 42  1  0  0  0  0
 15 19  2  0  0  0  0
 15 43  1  0  0  0  0
 16 20  2  0  0  0  0
 16 44  1  0  0  0  0
 17 21  2  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D0W2EK
  -OEChem-10121500592D

 77 79  0     1  0  0  0  0  0999 V2000
   10.1990   -3.3344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0034    2.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8070    3.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7994    1.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9154   -1.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3637   -0.1502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6224   -2.9703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1371    2.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0032    1.6994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2711    1.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    2.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4051    2.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3637   -0.1502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4051    3.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391    3.6994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6730    3.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6730    2.1994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.2247    0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391    4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    1.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    0.2676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6907   -0.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5969    1.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7247   -0.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7469   -1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119   -2.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8726    1.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6696    1.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    0.1938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939    0.8877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5811    3.2364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7945    2.3071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8070    4.3194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5798   -1.9315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4493   -4.5599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18  3  1  1  0  0  0
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 24  4  1  1  0  0  0
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  8 32  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 36  1  6  0  0  0
 11 14  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
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 13 41  1  0  0  0  0
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 13 43  1  0  0  0  0
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 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
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 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 18 50  1  0  0  0  0
 19 23  1  0  0  0  0
 19 27  1  1  0  0  0
 19 51  1  0  0  0  0
 20 28  1  0  0  0  0
 20 31  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 32  1  0  0  0  0
 31 71  1  0  0  0  0
 32 33  2  0  0  0  0
 33 74  1  0  0  0  0
 34 35  1  0  0  0  0
 35 75  1  0  0  0  0
 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
M  END

$$$$
D0W2NM
  -OEChem-10121500202D

 35 37  0     0  0  0  0  0  0999 V2000
    5.5096    0.7381    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9123   -0.4474    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0405    1.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -2.0984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -0.0740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0444    0.0492    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -1.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8209    1.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803   -0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803   -1.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209   -3.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7765    1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879    1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    2.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104    2.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    3.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7049   -1.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7160   -1.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -3.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589   -3.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4254   -2.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4954    1.6209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5915    2.5759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    3.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039    3.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 27  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D0W3OS
  -OEChem-10101305022D

 51 54  0     1  0  0  0  0  0999 V2000
    8.0319    1.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.3714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931    0.6286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -0.8714    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.3714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    0.9333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.9130    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9229    0.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -1.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4149   -2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8763   -0.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9594    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4616    2.4696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 46  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  6  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  1  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  1  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  6  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  6  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 21  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 23  3  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 23 51  1  0  0  0  0
M  END

$$$$
D0W3YL
  -OEChem-04152122272D

 11  8  0     0  0  0  0  0  0999 V2000
    1.7320    0.5000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.5000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.5000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
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    3.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END

$$$$
D0W4HZ
  -OEChem-10121501492D

 67 71  0     1  0  0  0  0  0999 V2000
    4.4177    2.4561    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.6749    5.0417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    7.5694   -5.2853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8374    3.7147    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7034    2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034    1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7034   -1.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9364    4.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7384    4.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8374   -0.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374   -2.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1839    3.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9514    5.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    3.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544    4.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4886    3.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9155    2.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9155    0.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    1.3223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3608    1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3140   -0.8930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9155   -0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2268   -2.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1800   -2.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 36  1  0  0  0  0
  3 33  1  0  0  0  0
  4 20  2  0  0  0  0
  5 34  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 34  1  0  0  0  0
  8 18  1  0  0  0  0
  8 35  2  0  0  0  0
  9 34  1  0  0  0  0
  9 66  1  0  0  0  0
  9 67  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 37  1  0  0  0  0
 11 17  1  0  0  0  0
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 11 38  1  1  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 47  1  0  0  0  0
 17 23  2  0  0  0  0
 17 29  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 21 26  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 25  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 27  1  0  0  0  0
 23 30  1  0  0  0  0
 24 28  1  0  0  0  0
 24 31  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  2  0  0  0  0
 30 62  1  0  0  0  0
 31 36  2  0  0  0  0
 31 63  1  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
 35 36  1  0  0  0  0
 35 65  1  0  0  0  0
M  END

$$$$
D0W5BS
  -OEChem-04152108432D

 26 23  0     0  0  0  0  0  0999 V2000
    0.0000    3.3495    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    5.2690    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    3.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    6.8890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2924    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    3.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1613    3.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    4.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    7.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    7.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    6.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  CHG  1   1   3
M  END

$$$$
D0W5HK
  -OEChem-10121500422D

 48 50  0     0  0  0  0  0  0999 V2000
    2.0000    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    4.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   -4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
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  7 31  2  0  0  0  0
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  8 35  1  0  0  0  0
  9 15  1  0  0  0  0
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  9 38  1  0  0  0  0
 10 28  2  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
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 11 45  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 13 25  1  0  0  0  0
 14 33  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 34  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  2  0  0  0  0
 20 37  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 29 43  1  0  0  0  0
 30 44  1  0  0  0  0
 32 46  1  0  0  0  0
 32 47  1  0  0  0  0
 32 48  1  0  0  0  0
M  END

$$$$
D0W5LS
  -OEChem-10101305022D

 68 71  0     1  0  0  0  0  0999 V2000
    7.9821    1.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391    1.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5855    1.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -1.7105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931   -0.7105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -2.2105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -1.7105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -2.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -0.4058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -2.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5431   -3.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9176    1.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2283    2.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5390    3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 10 34  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 49  1  0  0  0  0
 19 22  1  0  0  0  0
 19 50  1  0  0  0  0
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 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
 23 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END

$$$$
D0W5UV
  -OEChem-04152122302D

 31 30  0     0  0  0  0  0  0999 V2000
    2.0000    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
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 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  CHG  2   3   1   6  -1
M  END

$$$$
D0W6CA
  -OEChem-10101305032D

 45 47  0     1  0  0  0  0  0999 V2000
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 15 10  1  1  0  0  0
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 26 40  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D0W6DG
  -OEChem-10111523292D

 48 50  0     1  0  0  0  0  0999 V2000
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  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
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 13 18  1  0  0  0  0
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 14 16  2  0  0  0  0
 14 38  1  0  0  0  0
 15 17  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  END

$$$$
D0W6DY
  -OEChem-10121501142D

 44 46  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
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 10 12  2  0  0  0  0
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 13 16  1  0  0  0  0
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 16 20  2  0  0  0  0
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 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 44  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D0W6KM
  -OEChem-10121501552D

 34 36  0     1  0  0  0  0  0999 V2000
    2.0000   -2.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  7  3  1  1  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  6  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
M  END

$$$$
D0W6LI
  -OEChem-10101305022D

418426  0     1  0  0  0  0  0999 V2000
    7.1002    8.3528    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.3388   -9.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5070   -8.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7503   -9.4593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.1808   -8.6827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7364  -11.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3441  -11.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2448   -1.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9111   -8.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0676   -5.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5261    1.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3895   -0.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1426   -9.4773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3642    5.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7272    3.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0W6ZF
  -OEChem-10121501242D

 15 14  0     0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END

$$$$
D0W7HE
  -OEChem-10191523082D

 52 54  0     1  0  0  0  0  0999 V2000
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 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0W7JZ
  -OEChem-10121500462D

 51 54  0     0  0  0  0  0  0999 V2000
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 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END

$$$$
D0W7OE
  -OEChem-10101305022D

 54 56  0     1  0  0  0  0  0999 V2000
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 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  END

$$$$
D0W7RJ
  -OEChem-04152109452D

 50 53  0     1  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
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 10  7  1  1  0  0  0
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 25 27  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D0W7WC
  -OEChem-10121500232D

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 20 21  1  0  0  0  0
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 21 24  2  0  0  0  0
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 25 27  2  0  0  0  0
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 26 54  1  0  0  0  0
 27 29  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  2  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D0W8SB
  -OEChem-10121501222D

 50 51  0     1  0  0  0  0  0999 V2000
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 13  2  1  6  0  0  0
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 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END

$$$$
D0W8SJ
  -OEChem-10101305022D

 44 46  0     0  0  0  0  0  0999 V2000
    2.8660   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  1  0  0  0  0
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  3 35  1  0  0  0  0
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  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END

$$$$
D0W8WB
  -OEChem-10101305022D

 43 47  0     0  0  0  0  0  0999 V2000
   10.8248   -2.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3729   -3.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6874    2.6283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070    1.0506    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    9.1390    1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070    0.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390    0.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2730   -0.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5130    1.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6070    1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0490   -0.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0571   -1.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5824   -0.1400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2741   -3.7448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
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 10 16  2  0  0  0  0
 11 13  2  0  0  0  0
 11 30  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  2  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
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 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  CHG  1   5   1
M  END

$$$$
D0W9GA
          03080800122D 1   1.00000     0.00000     0

 34 38  0     1  0            999 V2000
    5.4542   -0.7333    0.0000 C   0  0  3  0  0  0           0  0  0
    4.8417   -0.3791    0.0000 O   0  0  0  0  0  0           0  0  0
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    4.2292   -0.7333    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.8417   -2.5041    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6125   -1.8041    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6792   -4.9833    0.0000 N   0  0  3  0  0  0           0  0  0
    6.0667   -1.7958    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4542   -2.8583    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2292   -2.8583    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0000   -0.7333    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.2292   -3.5666    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.6792   -2.8583    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2917   -2.5041    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  6  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  1  1  0     0  0
  7  4  1  0     0  0
  3  8  1  1     0  0
  9  5  1  0     0  0
 10 22  1  0     0  0
  6 11  1  6     0  0
 12  8  2  0     0  0
 13  8  1  0     0  0
 14  7  2  0     0  0
 15  9  2  0     0  0
 16 19  1  0     0  0
 17  1  1  0     0  0
 18  1  1  0     0  0
 19 13  2  0     0  0
 20 12  1  0     0  0
 21 16  1  0     0  0
 22 23  1  0     0  0
 23 21  1  0     0  0
 24 14  1  0     0  0
 25 10  1  0     0  0
 26 10  1  0     0  0
 27 11  1  0     0  0
 28 11  2  0     0  0
 29 24  1  0     0  0
 30 25  1  0     0  0
 31 26  1  0     0  0
 32 28  1  0     0  0
 33 27  2  0     0  0
 34 32  2  0     0  0
  4  5  2  0     0  0
 33 34  1  0     0  0
 16 20  2  0     0  0
 14 15  1  0     0  0
 30 31  1  0     0  0
M  END

$$$$
D0W9LX
  -OEChem-10121500382D

 56 59  0     1  0  0  0  0  0999 V2000
    5.3923    2.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7524    0.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3364    5.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    5.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0W9MM
  -OEChem-10121501012D

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 47 96  1  0  0  0  0
 47 97  1  0  0  0  0
 48 49  1  0  0  0  0
 48 98  1  0  0  0  0
 48 99  1  0  0  0  0
 49100  1  0  0  0  0
 49101  1  0  0  0  0
 50102  1  0  0  0  0
 50103  1  0  0  0  0
 50104  1  0  0  0  0
 51 52  1  0  0  0  0
 51 54  2  0  0  0  0
 52 55  2  0  0  0  0
 53 57  1  0  0  0  0
 53105  1  0  0  0  0
 53106  1  0  0  0  0
 54 58  1  0  0  0  0
 54108  1  0  0  0  0
 55 59  1  0  0  0  0
 55109  1  0  0  0  0
 56110  1  0  0  0  0
 56111  1  0  0  0  0
 56112  1  0  0  0  0
 57113  1  0  0  0  0
 57114  1  0  0  0  0
 57115  1  0  0  0  0
 58 59  2  0  0  0  0
 58116  1  0  0  0  0
 59117  1  0  0  0  0
M  END

$$$$
D0W9TE
  CDK    9/16/09,10:8

 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.3458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6314    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9354   -0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421    1.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3499   -1.6456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7746   -0.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7527    1.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793    1.9315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3399    2.6427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4914   -0.6168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2024    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9395   -2.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4963   -1.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2037   -0.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978    1.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -0.2147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1120   -2.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3515   -3.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
  1  2  1  0  0  0  0 
  9 13  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7 14  1  0  0  0  0 
  1  4  1  0  0  0  0 
  8 15  1  0  0  0  0 
  4  8  1  0  0  0  0 
 13 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
  3  9  1  0  0  0  0 
  1  5  1  0  0  0  0 
 14 18  2  0  0  0  0 
 14 19  1  0  0  0  0 
  6 10  1  0  0  0  0 
  1  3  1  0  0  0  0 
 15 20  2  0  0  0  0 
 15 21  1  0  0  0  0 
M  CHG  1  10   1
M  CHG  1  12  -1
M  CHG  1  13   1
M  CHG  1  14   1
M  CHG  1  15   1
M  CHG  1  17  -1
M  CHG  1  19  -1
M  CHG  1  21  -1
M  END

$$$$
D0W9VB
  -OEChem-10121501142D

 50 52  0     0  0  0  0  0  0999 V2000
    2.3100    0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -2.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -2.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3350   -1.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3350   -2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8926   -1.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2023   -0.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3926   -0.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023   -0.0234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7274   -3.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4177   -3.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2850   -2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2850   -1.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2023   -3.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8926   -3.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2274   -0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9177   -1.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8926    0.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    0.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -0.9579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -0.9579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -2.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -2.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 41  1  0  0  0  0
 15 19  1  0  0  0  0
 15 42  1  0  0  0  0
 16 20  2  0  0  0  0
 16 43  1  0  0  0  0
 17 21  2  0  0  0  0
 17 44  1  0  0  0  0
 18 22  2  0  0  0  0
 18 45  1  0  0  0  0
 19 23  2  0  0  0  0
 19 46  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 22 50  1  0  0  0  0
 23 49  1  0  0  0  0
M  END

$$$$
D0W9WF
  -OEChem-10121500282D

 33 34  0     1  0  0  0  0  0999 V2000
    2.0000   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 33  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D0W9ZF
  -OEChem-10101305032D

 60 62  0     1  0  0  0  0  0999 V2000
    9.0641   -1.1244    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -2.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5608   -1.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4260    0.4378    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    9.9320   -0.6277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.0969    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321   -0.0969    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4260   -1.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.1177    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3321   -0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631    2.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7961   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9359    0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6641   -0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8039    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5255   -1.9468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5255    0.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0214   -2.1013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8196   -2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3272   -1.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9429   -0.1821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5411    0.5076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -2.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 17 40  1  0  0  0  0
 18 23  1  0  0  0  0
 18 42  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 44  1  0  0  0  0
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 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
M  END

$$$$
D0WB9V
  -OEChem-10101305032D

 13 13  0     0  0  0  0  0  0999 V2000
    5.4641   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END

$$$$
D0WD8M
  -OEChem-10101305032D

 26 25  0     0  0  0  0  0  0999 V2000
    3.0000    2.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  1  0  0  0  0
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 10 12  1  0  0  0  0
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 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END

$$$$
D0WE3O
  -OEChem-10111523302D

 40 44  0     1  0  0  0  0  0999 V2000
    2.2314    0.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3370   -0.4755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -0.9511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2392    0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.9022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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 14  2  1  6  0  0  0
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 10 13  2  0  0  0  0
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 13 19  1  0  0  0  0
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 15 32  1  0  0  0  0
 16 20  2  0  0  0  0
 17 33  1  0  0  0  0
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 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D0WF7L
  -OEChem-10191522562D

 64 68  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0WH4P
  -OEChem-03101900402D

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 38 58  1  0  0  0  0
M  END

$$$$
D0WI3T
  -OEChem-10121500292D

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 49 99  1  0  0  0  0
M  END

$$$$
D0WL5V
  -OEChem-10121500082D

 48 51  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0WN0U
  -OEChem-10121500202D

 44 45  0     1  0  0  0  0  0999 V2000
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 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END

$$$$
D0WO8W
  -OEChem-10121501192D

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 18 40  1  0  0  0  0
M  END

$$$$
D0WP0B
  -OEChem-10101305032D

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116214  1  0  0  0  0
116215  1  0  0  0  0
116216  1  0  0  0  0
M  CHG  1  39  -1
M  END

$$$$
D0WS1X
  -OEChem-10101305032D

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  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
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  4 19  1  0  0  0  0
  4 35  1  0  0  0  0
  5 19  2  0  0  0  0
  6 20  2  0  0  0  0
  7 10  1  0  0  0  0
  7 37  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 14  9  1  1  0  0  0
  9 20  1  0  0  0  0
  9 29  1  0  0  0  0
 10 22  2  0  0  0  0
 11 24  1  0  0  0  0
 11 26  2  0  0  0  0
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 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  6  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 32  1  0  0  0  0
 22 24  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 25 36  1  0  0  0  0
M  END

$$$$
D0WV3U
  -OEChem-10121500312D

 49 52  0     0  0  0  0  0  0999 V2000
    4.4487    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    0.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3090    0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3090   -1.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3147    1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3147    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5388    0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5388   -1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4449   -0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4449   -1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3051    1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6574    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5793    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5316    1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2419   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9251    1.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6851    1.4268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4848   -1.6606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7150   -0.8146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8690   -0.5844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 17  1  0  0  0  0
  2 26  1  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
  4 24  1  0  0  0  0
  4 28  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  7 14  2  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  8 19  2  0  0  0  0
  9 19  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 20 23  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  1  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D0WV4M
  SciTegic11301210262D

 27 29  0  0  1  0            999 V2000
    1.9542    0.2458    0.0000 N   0  0
    1.9542   -0.6375    0.0000 C   0  0  1  0  0  0
    1.0667    0.2458    0.0000 C   0  0
    1.0667   -0.6375    0.0000 C   0  0  1  0  0  0
    2.7750    0.5208    0.0000 C   0  0  2  0  0  0
    2.7750   -0.8875    0.0000 S   0  0
    3.2792   -0.1792    0.0000 C   0  0
    0.2500   -0.4000    0.0000 N   0  0
   -0.3750   -1.0042    0.0000 C   0  0
    3.5000    1.0333    0.0000 C   0  0
    0.6667    0.9833    0.0000 O   0  0
   -1.2208   -0.7292    0.0000 C   0  0
   -1.8458   -1.3167    0.0000 O   0  0
   -0.1833   -1.8292    0.0000 O   0  0
    3.4000    1.8958    0.0000 O   0  0
    4.2792    0.6583    0.0000 O   0  0
    3.9917   -0.7125    0.0000 C   0  0
    4.0292    0.2458    0.0000 C   0  0
   -2.6625   -1.0792    0.0000 C   0  0
   -1.4125    0.0833    0.0000 C   0  0
   -2.8833   -0.2167    0.0000 C   0  0
   -3.3125   -1.6667    0.0000 C   0  0
   -0.7833    0.6958    0.0000 C   0  0
   -3.7000    0.0083    0.0000 C   0  0
   -4.1333   -1.4375    0.0000 C   0  0
   -4.3458   -0.5917    0.0000 C   0  0
    1.8069   -1.6266    0.0000 H   0  0
  2  1  1  0
  3  1  1  0
  4  3  1  0
  5  1  1  0
  6  2  1  0
  7  5  1  0
  4  8  1  6
  9  8  1  0
  5 10  1  1
 11  3  2  0
 12  9  1  0
 13 12  1  0
 14  9  2  0
 15 10  2  0
 16 10  1  0
 17  7  1  0
 18  7  1  0
 19 13  1  0
 20 12  1  0
 21 19  1  0
 22 19  2  0
 23 20  1  0
 24 21  2  0
 25 22  1  0
 26 25  2  0
  6  7  1  0
  2  4  1  0
 24 26  1  0
  2 27  1  1
M  END

$$$$
D0WY5Q
  -OEChem-10121500542D

 40 40  0     1  0  0  0  0  0999 V2000
    3.7320   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  2  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END

$$$$
D0WY9N
  -OEChem-04152108552D

 68 69  0     1  0  0  0  0  0999 V2000
    6.3301   -1.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0981   -0.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0981   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
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 11 16  2  0  0  0  0
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 13 37  1  0  0  0  0
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 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
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 16 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 27  1  6  0  0  0
 19 40  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  2  0  0  0  0
 23 28  1  0  0  0  0
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 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 31  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 34  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
M  END

$$$$
D0X0GI
  -OEChem-04152110092D

 70 68  0     1  0  0  0  0  0999 V2000
    5.4641   -0.7500    0.0000 Gd  0  1  0  0  0  0  0  0  0  0  0  0
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   13.2583   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    9.7942   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -1.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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   10.6603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2549   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8985   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2785   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 26  1  0  0  0  0
  3 26  2  0  0  0  0
  4 27  2  0  0  0  0
  5 28  2  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 29  2  0  0  0  0
  9 30  2  0  0  0  0
 10 33  1  0  0  0  0
 10 35  1  0  0  0  0
 11 34  1  0  0  0  0
 11 36  1  0  0  0  0
 12 17  1  0  0  0  0
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 12 21  1  0  0  0  0
 13 19  1  0  0  0  0
 13 22  1  0  0  0  0
 13 24  1  0  0  0  0
 14 20  1  0  0  0  0
 14 23  1  0  0  0  0
 14 25  1  0  0  0  0
 15 27  1  0  0  0  0
 15 31  1  0  0  0  0
 15 55  1  0  0  0  0
 16 28  1  0  0  0  0
 16 32  1  0  0  0  0
 16 56  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 26  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 27  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 28  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 29  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 30  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 31 33  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 34  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
M  CHG  4   1   3   2  -1   6  -1   7  -1
M  END

$$$$
D0X0RI
  -OEChem-10111523522D

 30 30  0     1  0  0  0  0  0999 V2000
    3.7320    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0420    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D0X0WU
  -OEChem-04152108512D

 41 42  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0X1EZ
          11280715292D 1   1.00000     0.00000     0

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M  END

$$$$
D0X1HE
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 27 30  0     0  0            999 V2000
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M  END

$$$$
D0X1WJ
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 58125  1  0  0  0  0
 58126  1  0  0  0  0
 58127  1  0  0  0  0
M  END

$$$$
D0X2DK
  -OEChem-10121501222D

 43 44  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0X2FT
  -OEChem-10101305032D

 68 65  0     1  0  0  0  0  0999 V2000
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    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2002    1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7287    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 36  1  0  0  0  0
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 10 33  2  0  0  0  0
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 15 24  1  0  0  0  0
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 25 32  1  0  0  0  0
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 26 33  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 34  1  0  0  0  0
 27 56  1  0  0  0  0
 28 35  2  0  0  0  0
 28 57  1  0  0  0  0
 29 38  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 37  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 34 36  2  0  0  0  0
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 35 36  1  0  0  0  0
 35 63  1  0  0  0  0
 39 40  1  0  0  0  0
 39 64  1  0  0  0  0
 39 65  1  0  0  0  0
 40 66  1  0  0  0  0
 40 67  1  0  0  0  0
 40 68  1  0  0  0  0
M  CHG  8   1   3   2   1   3   1   5  -1   7  -1   8  -1  11  -1  12  -1
M  END

$$$$
D0X2IE
  -OEChem-04152110472D

 14 13  0     1  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END

$$$$
D0X2LV
  -OEChem-10101305032D

 76 79  0     1  0  0  0  0  0999 V2000
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   10.8722    0.9845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  2  1  6  0  0  0
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 17  3  1  1  0  0  0
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 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
M  END

$$$$
D0X2MB
  -OEChem-10121501222D

 42 42  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0X2UE
  -OEChem-10111523372D

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M  END

$$$$
D0X3FX
  -OEChem-04152110462D

 45 49  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0X4CS
  -OEChem-04152109052D

 44 46  0     1  0  0  0  0  0999 V2000
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    3.7320    2.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5893   -2.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4724   -0.5296    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4724    0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1445   -0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8501   -1.6899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8166   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0774   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5222   -2.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4887   -1.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0439   -0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7495   -0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6824   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1215   -0.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0246    0.1501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4599   -0.4123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3606   -2.7401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0268   -3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9901   -2.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5415   -2.5025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1062   -1.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2056    0.3877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3487   -0.7601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 44  1  0  0  0  0
  6 19  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11  8  1  1  0  0  0
  8 16  1  0  0  0  0
  8 28  1  0  0  0  0
 17  9  1  1  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  6  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D0X4FM
  SciTegic12111210002D

 28 27  0  0  0  0            999 V2000
   -0.9675   -9.0054    0.0000 S   0  0
   -0.9675   -8.1601    0.0000 C   0  0
   -1.6574   -7.7374    0.0000 C   0  0
   -0.2437   -7.7811    0.0000 C   0  0
   -2.4008   -8.1455    0.0000 C   0  0
   -0.1367   -9.0054    0.0000 O   0  0
   -1.8129   -9.0054    0.0000 O   0  0
    0.4608   -8.2135    0.0000 O   0  0
   -0.9821   -9.8362    0.0000 O   0  0
   -0.2145   -6.9309    0.0000 O   0  0
   -2.4250   -8.9714    0.0000 O   0  0
   -3.1149   -7.7082    0.0000 O   0  0
    0.4559   -9.0734    0.0000 C   0  0
   -3.8583   -8.0823    0.0000 C   0  0
    1.1458   -9.5010    0.0000 C   0  0
   -4.5433   -7.6596    0.0000 C   0  0
   -4.4996   -6.8337    0.0000 C   0  0
    1.1167  -10.3026    0.0000 C   0  0
    1.8892   -9.1220    0.0000 C   0  0
   -5.2817   -8.0289    0.0000 C   0  0
   -6.7246   -7.9560    0.0000 C   0  0
    2.6471   -7.9074    0.0000 C   0  0
    1.9280   -8.2912    0.0000 C   0  0
   -5.9813   -7.5867    0.0000 C   0  0
    1.8017  -10.7349    0.0000 C   0  0
   -3.7854   -6.4548    0.0000 C   0  0
   -7.4242   -7.5188    0.0000 C   0  0
    2.6762   -7.0961    0.0000 C   0  0
  2  1  1  0
  3  2  1  0
  4  2  1  0
  5  3  1  0
  6  1  2  0
  7  1  2  0
  8  4  1  0
  9  1  1  0
 10  4  2  0
 11  5  2  0
 12  5  1  0
 13  8  1  0
 14 12  1  0
 15 13  1  0
 16 14  1  0
 17 16  1  0
 18 15  1  0
 19 15  1  0
 20 16  1  0
 21 24  1  0
 22 23  1  0
 23 19  1  0
 24 20  1  0
 25 18  1  0
 26 17  1  0
 27 21  1  0
 28 22  1  0
M  END

$$$$
D0X4JN
          05251000062D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
    3.3542   -3.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9792   -3.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0417   -2.4750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7375   -3.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4292   -2.1167    0.0000 C   0  0  3  0  0  0           0  0  0
    5.8125   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0417   -3.2042    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7375   -4.2417    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5917   -3.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8125   -3.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2000   -2.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6542   -2.1167    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5917   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2000   -3.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3542   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1250   -3.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4292   -1.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7417   -2.1250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1167   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  5  1  0     0  0
  4  1  1  0     0  0
  5  6  1  0     0  0
  6 10  2  0     0  0
  7  3  2  0     0  0
  8  4  2  0     0  0
  9  2  1  0     0  0
 10 14  1  0     0  0
 11 13  2  0     0  0
 12  3  1  0     0  0
 13  9  1  0     0  0
 14  9  2  0     0  0
 15  1  1  0     0  0
 16  4  1  0     0  0
 17  5  1  0     0  0
 18 15  1  0     0  0
 19 18  1  0     0  0
 19 16  1  0     0  0
  6 11  1  0     0  0
M  END

$$$$
D0X4RN
  -OEChem-10111523522D

 39 39  0     0  0  0  0  0  0999 V2000
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8535    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  2  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END

$$$$
D0X4RS
  -OEChem-04152122242D

 59 62  0     1  0  0  0  0  0999 V2000
    8.0319    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8722    1.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879    0.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.3938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931    0.6062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271   -0.8938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.3938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393    0.9109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -0.9007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1493    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8680   -1.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7851    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5951    1.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3972    0.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 48  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  END

$$$$
D0X4ZR
  -OEChem-10121501122D

 34 34  0     1  0  0  0  0  0999 V2000
    2.0000   -2.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.5670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D0X5KF
  -OEChem-10121501082D

 43 47  0     1  0  0  0  0  0999 V2000
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 17 20  2  0  0  0  0
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 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D0X5NX
  -OEChem-10101305022D

 35 35  0     1  0  0  0  0  0999 V2000
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 11 29  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  END

$$$$
D0X5SD
  -OEChem-10121501142D

 36 35  0     0  0  0  0  0  0999 V2000
    5.4641   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2 15  1  0  0  0  0
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  5 10  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 14  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
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 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  END

$$$$
D0X5SI
          05201000342D 1   1.00000     0.00000     0

 11 10  0     1  0            999 V2000
    6.1042   -2.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4917   -2.9750    0.0000 C   0  0  1  0  0  0           0  0  0
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    3.6542   -2.6167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3 11  1  0     0  0
  4  1  2  0     0  0
  5  3  2  0     0  0
  6 10  1  0     0  0
  2  7  1  1     0  0
  8  1  1  0     0  0
  9  3  1  0     0  0
 10  2  1  0     0  0
 11  6  1  0     0  0
M  END

$$$$
D0X5SJ
  -OEChem-10101305032D

 54 55  0     1  0  0  0  0  0999 V2000
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    5.9236    1.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  8  1  6  0  0  0
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 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END

$$$$
D0X5UN
  -OEChem-10121501362D

 52 54  0     1  0  0  0  0  0999 V2000
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  4 36  1  0  0  0  0
  5 16  1  0  0  0  0
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  5 44  1  0  0  0  0
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  6 28  2  0  0  0  0
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  7 52  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
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  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  2  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D0X5WJ
          04221101252D 1   1.00000     0.00000     0

 17 18  0     1  0            999 V2000
   -1.5138    0.2586    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.4552   -0.3483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5138    1.5724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5655   -0.3483    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4034    0.2586    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4552   -1.5724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5655    2.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3724    0.2586    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3448   -0.3483    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4034   -2.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3724    1.5724    0.0000 N   0  0  3  0  0  0           0  0  0
   -4.3448   -1.5724    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3207    2.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2621    1.5724    0.0000 C   0  0  1  0  0  0           0  0  0
    3.2103    2.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2621    0.2586    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2586    1.4862    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  6 10  2  0     0  0
  7 11  1  0     0  0
  9 12  2  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  1  1     0  0
 15 17  1  0     0  0
  8 11  1  0     0  0
 10 12  1  0     0  0
M  END

$$$$
D0X5XU
  -OEChem-10121500582D

 28 29  0     1  0  0  0  0  0999 V2000
    4.5411   -1.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -3.1304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -3.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.3214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.3214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -0.7825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -3.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5135   -2.8738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
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  9  2  1  1  0  0  0
  2 24  1  0  0  0  0
  3 13  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  2  0  0  0  0
 12  5  1  6  0  0  0
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  6 16  2  0  0  0  0
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  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  6  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D0X5ZI
  -OEChem-10121500162D

 50 52  0     1  0  0  0  0  0999 V2000
    4.0981    0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.2990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0981    0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 18 22  2  0  0  0  0
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 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 42  1  0  0  0  0
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 24 26  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END

$$$$
D0X6BV
  -OEChem-10121501342D

 60 64  0     0  0  0  0  0  0999 V2000
   14.4713   -2.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5549   -0.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0610    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0610   -0.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4713   -0.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0549   -1.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D0X6GN
  -OEChem-10121501082D

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 13  2  1  6  0  0  0
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 32 63  1  0  0  0  0
M  END

$$$$
D0X6HD
  -OEChem-10121501102D

 54 56  0     0  0  0  0  0  0999 V2000
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 24 26  2  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D0X6IU
  -OEChem-10101305032D

 32 32  0     1  0  0  0  0  0999 V2000
    6.0010    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
 11  3  1  1  0  0  0
  3 28  1  0  0  0  0
  4 13  1  0  0  0  0
  4 31  1  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
 10  8  1  6  0  0  0
  8 16  1  0  0  0  0
  8 25  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 20 32  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D0X6OW
  -OEChem-04152110102D

 54 55  0     1  0  0  0  0  0999 V2000
    7.0468   -0.4930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.0070    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9175   -1.7353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    4.0070    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.9190   -0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6267    1.7197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.0070    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.9175   -1.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9140   -3.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9175   -1.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.0070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9211    0.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.5015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9140   -3.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.7094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9211    0.0029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9128    0.0070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9211    1.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4193   -0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0520   -1.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4193   -0.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9175   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4157   -2.6044    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4157   -2.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1311   -0.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2322    0.5371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702    0.1147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687   -0.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    1.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    1.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7431   -0.9578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5144   -1.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3609   -2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0023   -0.6574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3129   -0.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5006   -1.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8111   -1.1266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7957   -2.6032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2229   -4.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2940   -3.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    0.2510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323   -0.4843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677   -0.0068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5339   -3.4748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  2 30  1  0  0  0  0
  3 29  1  0  0  0  0
  3 31  1  0  0  0  0
 19  5  1  6  0  0  0
  5 28  1  0  0  0  0
  6 21  2  0  0  0  0
  7 27  1  0  0  0  0
  8 26  2  0  0  0  0
  9 27  2  0  0  0  0
 10 33  1  0  0  0  0
 10 54  1  0  0  0  0
 11 33  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 19  1  0  0  0  0
 13 26  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  2  0  0  0  0
 32 16  1  6  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 35  1  6  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 26 29  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 31 32  1  0  0  0  0
 31 46  1  0  0  0  0
 31 47  1  0  0  0  0
 32 33  1  0  0  0  0
 32 48  1  0  0  0  0
 34 51  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
M  CHG  2   4   1   7  -1
M  END

$$$$
D0X7DE
  -OEChem-10121501202D

 65 68  0     0  0  0  0  0  0999 V2000
    2.0000   -6.1283    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    3.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    5.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    3.0741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.4649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    3.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    4.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    5.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9371    4.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7560    6.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9316    4.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7506    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3383    5.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.0457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.0457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.5207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.2109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.2109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.5207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.2109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.4793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9968    4.6061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3519    4.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6429    2.2535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9980    2.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.9383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9048    3.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5496    3.9422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8816    0.9378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7002    0.6236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0144    1.4422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6849    3.7348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3916    6.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2960    3.9042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0027    6.6947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9549    5.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 17  2  0  0  0  0
  3 25  1  0  0  0  0
  3 28  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 21  1  0  0  0  0
  8 18  2  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 48  1  0  0  0  0
 20 24  2  0  0  0  0
 20 49  1  0  0  0  0
 21 25  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 27  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 26  2  0  0  0  0
 24 26  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 61  1  0  0  0  0
 30 32  2  0  0  0  0
 30 62  1  0  0  0  0
 31 33  2  0  0  0  0
 31 63  1  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
M  END

$$$$
D0X7GL
  -OEChem-10111523512D

 40 41  0     0  0  0  0  0  0999 V2000
    5.1350   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    4.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  5 31  1  0  0  0  0
  6 12  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D0X7HM
  -OEChem-04152109442D

 25 22  0     0  0  0  0  0  0999 V2000
    3.7320    0.9641    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.8301    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    1.8301    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392   -1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249   -1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776   -2.1814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776   -1.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865   -1.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865   -2.1814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2936   -2.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705   -2.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    1.8301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120    1.8301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  3   1   2   6  -1   7  -1
M  END

$$$$
D0X7IT
  -OEChem-02061504092D

 64 65  0     0  0  0  0  0  0999 V2000
    6.3301   -2.3100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.3100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6900    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.6900    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.6900    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -4.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -3.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -6.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -5.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 33  1  0  0  0  0
  7 27  2  0  0  0  0
  8 34  2  0  0  0  0
  9 36  2  0  0  0  0
 10 37  2  0  0  0  0
 11 38  2  0  0  0  0
 12 41  1  0  0  0  0
 12 63  1  0  0  0  0
 13 42  1  0  0  0  0
 13 64  1  0  0  0  0
 14 41  2  0  0  0  0
 15 20  1  0  0  0  0
 15 35  1  0  0  0  0
 15 37  1  0  0  0  0
 16 27  1  0  0  0  0
 16 29  1  0  0  0  0
 16 46  1  0  0  0  0
 17 26  1  0  0  0  0
 17 34  1  0  0  0  0
 17 47  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 51  1  0  0  0  0
 19 36  1  0  0  0  0
 19 43  1  0  0  0  0
 19 57  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 21 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 26 30  2  0  0  0  0
 26 31  1  0  0  0  0
 28 30  1  0  0  0  0
 28 33  2  0  0  0  0
 28 38  1  0  0  0  0
 29 34  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 41  1  0  0  0  0
 35 48  1  0  0  0  0
 35 49  1  0  0  0  0
 35 50  1  0  0  0  0
 37 40  1  0  0  0  0
 39 42  1  0  0  0  0
 39 52  1  0  0  0  0
 39 53  1  0  0  0  0
 40 54  1  0  0  0  0
 40 55  1  0  0  0  0
 40 56  1  0  0  0  0
 42 58  1  0  0  0  0
 42 59  1  0  0  0  0
 43 60  1  0  0  0  0
 43 61  1  0  0  0  0
 43 62  1  0  0  0  0
M  END

$$$$
D0X7JN
  -OEChem-10101305032D

 23 24  0     1  0  0  0  0  0999 V2000
    4.6650    1.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521   -1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049   -1.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7528    1.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    0.0773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    1.0773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6650   -0.2317    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7056    1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528    0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7528    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.9172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2266   -0.6701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7074    1.7015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856    1.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    0.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8604    2.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1702    1.6554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1437   -1.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0628    1.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  2  0  0  0  0
  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  8 12  1  6  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END

$$$$
D0X7JR
  -OEChem-10121500332D

 24 23  0     1  0  0  0  0  0999 V2000
    2.0000    2.0005    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.8665    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    2.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.3296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.1345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -0.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    2.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -1.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -1.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970    0.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    0.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.8665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -2.3296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    1.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END

$$$$
D0X7KB
  -OEChem-10121500232D

 51 54  0     1  0  0  0  0  0999 V2000
    5.4641    2.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2719    0.6217    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6038    1.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2599   -3.5685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2558   -0.4198    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3898   -0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219   -0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4718    0.6286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3739    1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219   -1.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898   -1.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2558   -2.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798   -0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2719   -3.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1436    1.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7398   -2.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798   -2.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3739   -3.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4718   -3.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    2.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282    3.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    4.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9952   -0.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7324   -1.0275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3339   -0.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706    1.2486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7748    1.6223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    1.6254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9465   -0.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4474    0.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6841    1.4154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8399    1.6521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3576   -2.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0681    0.8132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9465   -2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5459   -4.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3762   -4.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9337   -3.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392    3.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9380    4.2053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712    1.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.6452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    3.1534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    2.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1682    4.6567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    4.4265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    3.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  9  3  1  6  0  0  0
  3 21  1  0  0  0  0
  3 37  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 39  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  1  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  2  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 22 25  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END

$$$$
D0X7KZ
  -OEChem-04152110332D

 31 29  0     0  0  0  0  0  0999 V2000
    3.6310   -3.5866    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
    6.0610    3.5866    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
    4.4935    0.5986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372    3.2039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7545    2.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -2.8795    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6310   -3.5866    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620   -3.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9849    3.2039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3676    2.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4990   -1.3188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137   -0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0610    0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9805   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372    1.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381   -1.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9849    1.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7545    2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -1.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381   -2.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7398   -0.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3676    2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7914   -0.5735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0941   -0.8624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -2.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6481   -1.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0659    0.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5996    1.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4 21  1  0  0  0  0
  5 21  2  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 22  2  0  0  0  0
  9 23  2  0  0  0  0
 10 25  1  0  0  0  0
 11 25  2  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 24  3  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 24  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 23  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 25  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  CHG  6   1   2   2   2   4  -1   6  -1   7  -1  10  -1
M  END

$$$$
D0X7NU
  -OEChem-04152109182D

 20 19  0     0  0  0  0  0  0999 V2000
    2.4520    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.5369    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

$$$$
D0X7QQ
          11280714562D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
    4.3417   -3.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9917   -3.4500    0.0000 N   0  0  3  0  0  0           0  0  0
    3.9917   -4.4250    0.0000 N   0  0  0  0  0  0           0  0  0
    3.4167   -3.6250    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.2667   -2.8542    0.0000 C   0  0  3  0  0  0           0  0  0
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    4.8667   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6625   -1.8125    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.3792   -4.2375    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  2  1  0     0  0
  7 14  1  0     0  0
  8  1  1  0     0  0
  9  6  1  0     0  0
 10  6  1  0     0  0
 11 26  1  0     0  0
 12 11  1  0     0  0
 13 11  2  0     0  0
 14 10  1  0     0  0
 15  9  1  0     0  0
 16 12  2  0     0  0
 17 12  1  0     0  0
 18 19  1  0     0  0
 19 17  2  0     0  0
 20 16  1  0     0  0
 21 18  1  0     0  0
 22  7  1  0     0  0
 23  4  2  0     0  0
 24  5  2  0     0  0
 25 22  1  0     0  0
 26 25  1  0     0  0
 27 23  1  0     0  0
 28 24  1  0     0  0
  5  4  1  0     0  0
 28 27  2  0     0  0
 15  7  1  0     0  0
 20 18  2  0     0  0
M  END

$$$$
D0X7XG
  -OEChem-10101305022D

 85 88  0     1  0  0  0  0  0999 V2000
    5.3307   -0.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4586   -2.8776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9586   -2.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  1  1  6  0  0  0
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 22  2  1  1  0  0  0
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 26  3  1  6  0  0  0
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 17 22  1  0  0  0  0
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 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 33 77  1  0  0  0  0
 34 35  2  0  0  0  0
 34 79  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 80  1  0  0  0  0
 36 81  1  0  0  0  0
 36 82  1  0  0  0  0
 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
 37 85  1  0  0  0  0
M  END

$$$$
D0X7ZL
  -OEChem-04152110072D

 16 15  0     0  0  0  0  0  0999 V2000
    5.1350    2.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END

$$$$
D0X8KY
  -OEChem-04152109362D

 85 87  0     1  0  0  0  0  0999 V2000
    7.1168    1.9172    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.3644    1.1082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1278    2.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657    2.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    2.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2869    3.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    2.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    0.4037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6377   -0.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2558   -0.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0X8XA
  -OEChem-04152110472D

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M  END

$$$$
D0X9CH
  -OEChem-10121501472D

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 48101  1  0  0  0  0
 49102  1  0  0  0  0
M  END

$$$$
D0X9MP
  SciTegic11301210262D

 28 30  0  0  0  0            999 V2000
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  2  4  1  0
  3 13  1  0
  4  1  1  0
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  6  3  1  0
  7  6  1  0
  8  5  1  0
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 10  2  1  0
 11  2  1  0
 12 10  1  0
 13 11  1  0
 14  1  1  0
 15  5  1  0
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 19  9  2  0
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 21 15  1  0
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 12  3  1  0
 23 27  2  0
 25 28  2  0
M  END

$$$$
D0X9PF
  -OEChem-04152110112D

142146  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0X9RG
  -OEChem-10121501412D

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M  END

$$$$
D0X9RY
  -OEChem-04152108362D

 15 15  0     0  0  0  0  0  0999 V2000
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  8 14  1  0  0  0  0
M  END

$$$$
D0X9XP
  -OEChem-04152110372D

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 43 74  1  0  0  0  0
 43 75  1  0  0  0  0
M  END

$$$$
D0X9ZC
  -OEChem-10121500302D

 42 44  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0XB8P
  -OEChem-10121500242D

 19 18  0     0  0  0  0  0  0999 V2000
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    2.0560    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

$$$$
D0XE0U
  -OEChem-04152111112D

  8  7  0     0  0  0  0  0  0999 V2000
    4.2690    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0950    0.0000 C   2  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  ISO  1   4  14
M  END

$$$$
D0XE1C
  -OEChem-10121500392D

 46 49  0     1  0  0  0  0  0999 V2000
    8.1592    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5052   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5090    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1115    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4350   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9771   -1.0802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    1.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6990    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7484    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4411    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2501    0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1331   -0.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0721    0.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
 14  2  1  1  0  0  0
  2 35  1  0  0  0  0
 16  3  1  1  0  0  0
  3 36  1  0  0  0  0
  4 18  1  0  0  0  0
  4 38  1  0  0  0  0
  5 27  2  0  0  0  0
 15  6  1  6  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
  7 21  1  0  0  0  0
  8 19  1  0  0  0  0
  8 23  2  0  0  0  0
  9 22  2  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 22  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 26  2  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  6  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 42  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END

$$$$
D0XF8W
  -OEChem-10121501242D

 14 14  0     0  0  0  0  0  0999 V2000
    3.4030   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END

$$$$
D0XM1A
  -OEChem-03101900402D

 50 50  0     1  0  0  0  0  0999 V2000
    8.5991    5.8005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    9.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    6.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3301   11.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 27  1  0  0  0  0
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  3 20  1  0  0  0  0
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  5 50  1  0  0  0  0
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 11  8  1  1  0  0  0
  8 31  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  1  0  0  0  0
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 16 18  2  0  0  0  0
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 18 37  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
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 21 22  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  2  0  0  0  0
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 24 26  2  0  0  0  0
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 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D0XM9Y
  CDK    12/20/10,14:45

 22 24  0  0  0  0  0  0  0  0999 V2000
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    4.8542   -8.5250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.7792   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -5.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0 
  3  1  1  0  0  0  0 
  4  1  1  0  0  0  0 
  5  4  2  0  0  0  0 
  6  2  1  0  0  0  0 
  7  5  1  0  0  0  0 
  8 14  1  0  0  0  0 
  9  3  2  0  0  0  0 
 10  8  3  0  0  0  0 
 11  1  2  0  0  0  0 
 12  4  1  0  0  0  0 
 13  6  2  0  0  0  0 
 14  2  1  0  0  0  0 
 15 11  1  0  0  0  0 
 16 15  2  0  0  0  0 
 17 15  1  0  0  0  0 
 18 12  2  0  0  0  0 
 19 12  1  0  0  0  0 
 20 19  2  0  0  0  0 
 21 18  1  0  0  0  0 
 22 21  2  0  0  0  0 
  9 16  1  0  0  0  0 
  7  6  1  0  0  0  0 
 22 20  1  0  0  0  0 
M  END

$$$$
D0XN1F
  -OEChem-10111523502D

 56 57  0     1  0  0  0  0  0999 V2000
    3.7320   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823   -1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023   -0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 24  1  0  0  0  0
  2 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 32  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 33  1  0  0  0  0
 19 23  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 29  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D0XN8C
  -OEChem-04152108492D

 55 55  0     1  0  0  0  0  0999 V2000
    9.6517   -2.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3557    3.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6237    3.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916   -2.4759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0826   -3.0637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7006   -3.0637    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3916   -4.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3916   -4.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316   -2.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7576   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7576    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -3.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6237    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -3.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6237    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -3.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897    3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4440   -2.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9856   -2.4514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390   -3.5021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7852   -4.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564   -4.6314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3268   -4.6314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9981   -4.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6796   -0.8933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810   -1.5836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226   -2.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9697   -1.5586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3682   -0.8683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0973   -3.9713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8770   -3.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1124   -3.1696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5456    0.6067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1471   -0.0836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7284   -2.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488   -2.7331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2343    0.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031   -4.3314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -4.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7017    1.4414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1003    2.1317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3557    4.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 37  1  0  0  0  0
  2 21  1  0  0  0  0
  2 55  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  1  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  6  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 21  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
M  END

$$$$
D0XQ0Q
  -OEChem-04152109152D

 56 59  0     1  0  0  0  0  0999 V2000
    8.5991   -0.2327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5904   -1.8626    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1791    1.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4063    0.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.2673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.4651    3.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3296   -2.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5558   -2.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -1.6018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1791   -0.4454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4734    0.2631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4734    1.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1455   -0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8512   -0.8972    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.8176   -0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5233   -1.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0784    0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4897   -1.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0449    0.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7505   -0.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6834   -0.5542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2344   -0.3090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    0.3749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210   -0.3154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0174   -1.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2520   -1.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3616   -1.9474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6409    0.7644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7671   -3.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9272   -1.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2066    1.1804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3497    0.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 20  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 23  1  0  0  0  0
  3 17  2  0  0  0  0
  4 22  2  0  0  0  0
  5 24  1  0  0  0  0
  6 24  2  0  0  0  0
  7 51  1  0  0  0  0
 10 36  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 16 12  1  1  0  0  0
 12 22  1  0  0  0  0
 12 41  1  0  0  0  0
 13 21  1  0  0  0  0
 13 26  2  0  0  0  0
 13 27  1  0  0  0  0
 14 36  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  6  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 23 22  1  1  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 31  2  0  0  0  0
 27 46  1  0  0  0  0
 28 33  1  0  0  0  0
 28 47  1  0  0  0  0
 29 34  2  0  0  0  0
 29 48  1  0  0  0  0
 30 32  2  0  0  0  0
 30 49  1  0  0  0  0
 31 32  1  0  0  0  0
 31 50  1  0  0  0  0
 32 36  1  0  0  0  0
 33 35  2  0  0  0  0
 33 52  1  0  0  0  0
 34 35  1  0  0  0  0
 34 53  1  0  0  0  0
 35 54  1  0  0  0  0
M  CHG  2   5  -1  13   1
M  END

$$$$
D0XQ2X
  -OEChem-04152109242D

  9  4  0     0  0  0  0  0  0999 V2000
    0.8660    1.2500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    1.7320    1.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D0XQ5X
  -OEChem-03141904492D

120127  0     1  0  0  0  0  0999 V2000
    7.1480    1.0369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375    4.9289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0789    7.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5609    7.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8638    6.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2685    4.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    8.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0805    7.7026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1151    8.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0094    4.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0284    5.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    8.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0140    1.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480    1.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    0.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    8.6370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375    6.4192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6615    5.2135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6615    6.1346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0789    5.6740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8638    4.7530    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9549    6.8798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9549    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0661    5.2135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.7000    7.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2685    6.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    5.2135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4708    6.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6038    8.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7623    8.7118    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6731    4.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5708    9.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8754    5.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0778    6.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2802    8.8676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.6548    9.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9815    7.5112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2363    6.2205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6200    6.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1516    8.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5978    8.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4988    8.0041    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0258    9.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0160    8.4971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6200    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3007    7.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    6.9366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7834    7.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2481   10.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1538    6.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0774    4.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2820    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4486    7.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7503    4.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0433    6.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8638    3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0838    5.3522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0XW2H
  -OEChem-10101305032D

113113  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0XX6Y
  -OEChem-10101305032D

105110  0     1  0  0  0  0  0999 V2000
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 42102  1  0  0  0  0
 43103  1  0  0  0  0
 43104  1  0  0  0  0
 43105  1  0  0  0  0
M  CHG  2   7   1   8   1
M  END

$$$$
D0Y0ER
  -OEChem-10121501252D

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 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 21  2  0  0  0  0
 18 45  1  0  0  0  0
 19 24  1  0  0  0  0
 19 46  1  0  0  0  0
 20 23  2  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D0Y0GH
  -OEChem-10121501082D

 42 45  0     1  0  0  0  0  0999 V2000
    7.1060    1.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1654   -0.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768    2.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6338   -0.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7465   -1.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7756    3.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4879    2.2647    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6327   -0.5873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3434   -2.7135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1060    2.2647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2970    1.6769    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7970    3.2157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7970    3.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9873    0.7322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6852    1.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    0.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5737   -0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3130   -0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0195    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9775    1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2984    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7518   -1.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5208    1.8039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8617    3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3652    3.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8618    3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1905    3.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5999    0.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871   -0.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0052    0.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717    0.9294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5859    1.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7673    2.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307    1.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939    1.4851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8693    0.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257   -0.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7070   -3.2157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7267   -2.7772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  1 20  1  0  0  0  0
  2 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  2  0  0  0  0
  5 24  2  0  0  0  0
 10  6  1  6  0  0  0
 12  6  1  6  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 22  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 24  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  6  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D0Y0JH
  -OEChem-10101305032D

 29 30  0     0  0  0  0  0  0999 V2000
    5.4641   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  2  0  0  0  0
  4 19  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 16  2  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D0Y0SW
  -OEChem-10121501022D

 30 30  0     0  0  0  0  0  0999 V2000
    4.5981    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 12 19  1  0  0  0  0
 13 22  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D0Y1AA
  -OEChem-04152111372D

 22 20  0     0  0  0  0  0  0999 V2000
    4.2690    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2690    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5010   -2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  6 18  1  0  0  0  0
  6 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  4   3   1   4   1   7  -1  10  -1
M  END

$$$$
D0Y1IT
  -OEChem-04152111162D

 16 15  0     0  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END

$$$$
D0Y1KF
  -OEChem-10101305032D

  9  6  0     0  0  0  0  0  0999 V2000
    0.8660    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.8845    5.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END

$$$$
D0Y1UC
  CDK    9/16/09,9:55

 17 17  0  0  0  0  0  0  0  0999 V2000
    7.3716   -6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3716   -7.7739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0805   -8.1805    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.7935   -7.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7935   -6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0805   -6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4919   -8.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6617   -8.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6958   -8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1070   -9.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3109   -8.9065    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6992   -9.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1104  -10.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3217  -10.9443    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6567   -8.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9406   -7.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2258   -8.1877    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  7  9  1  0  0  0  0 
  2  3  1  0  0  0  0 
  9 10  1  0  0  0  0 
  3  4  1  0  0  0  0 
 10 11  1  0  0  0  0 
  4  5  1  0  0  0  0 
  7 12  1  0  0  0  0 
  5  6  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  3  7  1  0  0  0  0 
  2 15  1  0  0  0  0 
  1  2  1  0  0  0  0 
 15 16  1  0  0  0  0 
  3  8  2  0  0  0  0 
 16 17  1  0  0  0  0 
M  END

$$$$
D0Y2CJ
  -OEChem-10121500222D

 30 31  0     0  0  0  0  0  0999 V2000
    4.2690   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    3.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    3.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 30  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  3 15  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
M  END

$$$$
D0Y2DI
  -OEChem-10101305032D

 33 33  0     0  0  0  0  0  0999 V2000
    2.0000   -2.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    1.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    2.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  2  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 26  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  2  0  0  0  0
  6 14  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 15  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  2  0  0  0  0
 13 28  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D0Y2IE
  -OEChem-04152110102D

 45 47  0     1  0  0  0  0  0999 V2000
    6.8671   -0.6340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4470    1.5787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6743    0.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8614   -1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8919   -2.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4470   -0.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8583   -2.2638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7414   -0.1381    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7414    0.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4135   -0.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0856   -1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4459   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7012   -1.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2296   -3.6477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 25  1  0  0  0  0
 13 41  1  0  0  0  0
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 14 30  1  6  0  0  0
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 17 18  2  0  0  0  0
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 27 39  1  0  0  0  0
 28 40  1  0  0  0  0
 29 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END

$$$$
D0Y2IZ
  -OEChem-10121501262D

 28 29  0     1  0  0  0  0  0999 V2000
    2.8660    2.0737    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5737    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.0979    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9263    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.9504    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6249   -1.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315   -0.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923   -1.4537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5737    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -1.5809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.7284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5304   -1.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9899   -2.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 20  2  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
M  END

$$$$
D0Y2LR
  -OEChem-10121501152D

 42 43  0     1  0  0  0  0  0999 V2000
    4.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0826   -0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923   -0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -2.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200   -1.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9631   -2.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900   -3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0369   -2.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  2  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D0Y2NE
  -OEChem-10111523562D

 40 41  0     0  0  0  0  0  0999 V2000
    4.5981    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2646    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  1 39  1  0  0  0  0
  2 20  1  0  0  0  0
  2 40  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 18  2  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 15 35  1  0  0  0  0
 16 20  2  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D0Y2SW
  -OEChem-04152111182D

 42 42  0     1  0  0  0  0  0999 V2000
    2.0000   -2.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.5981    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.1900    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 23  1  0  0  0  0
  3 38  1  0  0  0  0
  4 23  1  0  0  0  0
  4 39  1  0  0  0  0
  5 14  2  0  0  0  0
  6 16  2  0  0  0  0
 11  7  1  6  0  0  0
  7 14  1  0  0  0  0
  7 34  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 23  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D0Y2YP
  -OEChem-10191522532D

 64 68  0     1  0  0  0  0  0999 V2000
    2.9438   -0.8087    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0594   -1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    2.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7828    0.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6092   -0.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399   -0.2845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4739   -0.7845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6079   -0.2845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0770   -0.9516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6079    0.7155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6831   -1.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6718   -1.8594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3399    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    1.2154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7140    1.2501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7140   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2060    0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079   -0.3054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8865   -0.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2632   -2.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7390    2.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5838    1.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7997   -0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7624   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2415   -1.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    2.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -1.2851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144   -1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3440    0.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6840   -2.3764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3271   -2.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9505    0.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5520    1.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    1.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203   -1.2982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1185   -1.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160   -0.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7429    0.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960    0.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    0.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    2.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9615    2.9135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8896    1.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231    2.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780    2.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    2.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    3.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    3.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4525   -1.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   -1.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2252   -3.2013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0719   -3.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2996   -2.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3699   -2.4248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480   -1.6898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1131   -1.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1754   -0.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 21  1  1  6  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
 16  4  1  1  0  0  0
  4 52  1  0  0  0  0
  5 22  2  0  0  0  0
  6 28  1  0  0  0  0
  6 64  1  0  0  0  0
  7 31  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  6  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 33  1  1  0  0  0
 11 14  1  0  0  0  0
 11 22  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 34  1  6  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  1  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 20  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 18 21  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 46  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 31  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 31  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
M  END

$$$$
D0Y3KG
  -OEChem-10101305022D

 26 25  0     0  0  0  0  0  0999 V2000
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 26  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  END

$$$$
D0Y3ME
  -OEChem-04152109392D

 29 27  0     1  0  0  0  0  0999 V2000
    3.3987   -0.4955    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109   -2.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865   -2.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.0923    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.2077    0.0923    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.8987    1.0434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8987    1.0434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3640    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4333    1.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779    2.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9195    2.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987   -2.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987   -2.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    0.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7433    0.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8850    2.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942    1.5327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9031    1.5327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9124    2.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973   -0.0993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9840    3.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2942    3.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    3.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134    3.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973   -0.8917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  2 28  1  0  0  0  0
  3 15  1  0  0  0  0
  3 29  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  1  0  0  0
  9 11  1  0  0  0  0
  9 17  1  6  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  3   1   2   6  -1   7  -1
M  END

$$$$
D0Y3MO
  -OEChem-10101305022D

 83 85  0     1  0  0  0  0  0999 V2000
    6.8671    1.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5992   -2.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5991   -1.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5991   -2.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5992   -4.6185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 40 80  1  0  0  0  0
 40 81  1  0  0  0  0
M  END

$$$$
D0Y3TM
  -OEChem-10101305022D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
M  END

$$$$
D0Y4AW
  -OEChem-10121501192D

 33 32  0     0  0  0  0  0  0999 V2000
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 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END

$$$$
D0Y4DY
  -OEChem-10121500332D

 42 43  0     0  0  0  0  0  0999 V2000
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 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END

$$$$
D0Y4GO
  -OEChem-04152108472D

 52 54  0     1  0  0  0  0  0999 V2000
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 17  8  1  1  0  0  0
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 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D0Y4JJ
  -OEChem-10111523442D

 61 63  0     1  0  0  0  0  0999 V2000
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 10 39  1  0  0  0  0
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 20 25  1  0  0  0  0
 20 54  1  0  0  0  0
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 21 55  1  0  0  0  0
 22 24  2  0  0  0  0
 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 27  2  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
M  END

$$$$
D0Y4LX
  -OEChem-04152121562D

 15 15  0     0  0  0  0  0  0999 V2000
    6.3301    0.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  2  8  2  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
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  7 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
M  END

$$$$
D0Y4QG
  -OEChem-04152109242D

 68 72  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0Y4SI
  -OEChem-03141904532D

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M  END

$$$$
D0Y4YG
          06091100062D 1   1.00000     0.00000     0

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 10  2  2  0     0  0
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 13  3  2  0     0  0
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 16  6  1  0     0  0
 17  4  1  0     0  0
 18  3  1  0     0  0
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 59 44  1  0     0  0
 60 45  1  0     0  0
 61 47  1  0     0  0
 62 46  1  0     0  0
  6 13  1  0     0  0
  5 14  1  0     0  0
M  END

$$$$
D0Y5AM
  -OEChem-10121500032D

 62 66  0     1  0  0  0  0  0999 V2000
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   11.0249    0.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 17 46  1  0  0  0  0
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 23 53  1  0  0  0  0
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 25 31  2  0  0  0  0
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 27 57  1  0  0  0  0
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 30 32  1  0  0  0  0
 30 58  1  0  0  0  0
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 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END

$$$$
D0Y5DO
  -OEChem-10121501402D

 45 47  0     1  0  0  0  0  0999 V2000
    9.6504    1.8609    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400    1.8378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252    0.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4103   -2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8178    1.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 24  1  0  0  0  0
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 22 41  1  0  0  0  0
 22 45  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D0Y5GK
  -OEChem-10121501112D

 40 41  0     1  0  0  0  0  0999 V2000
    4.5981   -3.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 15  1  0  0  0  0
  9 26  1  0  0  0  0
 10 16  2  0  0  0  0
 10 27  1  0  0  0  0
 11 17  1  0  0  0  0
 11 28  1  0  0  0  0
 12 18  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 19  2  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  2  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D0Y5JC
  -OEChem-10121501362D

 60 63  0     1  0  0  0  0  0999 V2000
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   10.5773   -2.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125   -1.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 50  1  0  0  0  0
 25 28  2  0  0  0  0
 25 51  1  0  0  0  0
 26 30  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 34  2  0  0  0  0
 32 58  1  0  0  0  0
 33 34  1  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END

$$$$
D0Y5LR
  SciTegic01161211252D

  9  6  0  0  0  0            999 V2000
   -0.5458   -5.6875    0.0000 C   0  0
    1.8500   -5.6875    0.0000 C   0  0
   -0.1958   -5.0750    0.0000 O   0  5
    1.4917   -5.0750    0.0000 O   0  5
   -1.2583   -5.6875    0.0000 O   0  0
    2.5542   -5.6875    0.0000 O   0  0
    0.4000   -5.7792    0.0000 Zn  0  2
    1.4917   -6.3042    0.0000 C   0  0
   -0.1958   -6.3042    0.0000 C   0  0
  3  1  1  0
  4  2  1  0
  5  1  2  0
  6  2  2  0
  8  2  1  0
  9  1  1  0
M  CHG  3   3  -1   4  -1   7   2
M  END

$$$$
D0Y5RZ
  -OEChem-10101305032D

 64 67  0     1  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
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 31 60  1  0  0  0  0
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 32 61  1  0  0  0  0
 33 35  1  0  0  0  0
 33 62  1  0  0  0  0
M  END

$$$$
D0Y5UG
  -OEChem-10111523382D

 44 46  0     0  0  0  0  0  0999 V2000
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 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 44  1  0  0  0  0
M  END

$$$$
D0Y5ZA
  -OEChem-04152108502D

 50 53  0     1  0  0  0  0  0999 V2000
    4.3177    0.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7899    1.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17  5  1  6  0  0  0
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 10 26  1  6  0  0  0
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 16 35  1  0  0  0  0
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 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END

$$$$
D0Y6CE
  -OEChem-10101305022D

 98102  0     1  0  0  0  0  0999 V2000
   11.0004    4.4755    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
   11.0004    6.9755    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
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    1.5963    2.3332    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    4.9864    2.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    9.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558    1.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3906    5.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8804    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1980    5.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    4.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844    5.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3770    5.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8804    4.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3352    8.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012   11.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2649    0.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804    3.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3286    7.8324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5624    3.2653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184    9.7234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7199   10.4137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8537    7.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9522    6.9435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1716    0.6119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5078    8.2178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1278    8.8379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5078    9.4578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3178    7.4349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5448    8.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    4.3937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5052    2.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166    1.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321    3.4984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    3.5775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4797    2.7043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9485    3.8735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274   10.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4987    0.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7706    5.6616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1904    7.0587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780    5.6616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9978    4.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846    7.0587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044    5.6616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9970    5.6616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6452    9.3748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7983    9.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252    8.3009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   11.3311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012   11.9511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5812   11.3311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 27  1  0  0  0  0
  3 41  1  0  0  0  0
  4 34  1  0  0  0  0
  4 42  1  0  0  0  0
  5 33  1  0  0  0  0
  5 47  1  0  0  0  0
  6 35  1  0  0  0  0
  6 48  1  0  0  0  0
  7 36  1  0  0  0  0
  7 49  1  0  0  0  0
  8 46  1  0  0  0  0
  8 50  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 51  1  1  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 12 52  1  6  0  0  0
 13 16  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 20  1  0  0  0  0
 14 55  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 27  2  0  0  0  0
 16 19  1  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 24  1  0  0  0  0
 17 29  2  0  0  0  0
 18 28  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 30  2  0  0  0  0
 20 24  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 21 65  1  0  0  0  0
 22 66  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 31  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 24 32  2  0  0  0  0
 25 71  1  0  0  0  0
 25 72  1  0  0  0  0
 25 73  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
 26 76  1  0  0  0  0
 27 33  1  0  0  0  0
 28 37  2  0  0  0  0
 28 38  1  0  0  0  0
 29 34  1  0  0  0  0
 29 77  1  0  0  0  0
 30 35  1  0  0  0  0
 30 78  1  0  0  0  0
 31 39  2  0  0  0  0
 31 40  1  0  0  0  0
 32 36  1  0  0  0  0
 32 79  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
 37 42  1  0  0  0  0
 37 80  1  0  0  0  0
 38 45  2  0  0  0  0
 38 81  1  0  0  0  0
 39 43  1  0  0  0  0
 39 82  1  0  0  0  0
 40 44  2  0  0  0  0
 40 83  1  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
 42 46  2  0  0  0  0
 43 84  1  0  0  0  0
 44 85  1  0  0  0  0
 45 46  1  0  0  0  0
 45 86  1  0  0  0  0
 47 87  1  0  0  0  0
 47 88  1  0  0  0  0
 47 89  1  0  0  0  0
 48 90  1  0  0  0  0
 48 91  1  0  0  0  0
 48 92  1  0  0  0  0
 49 93  1  0  0  0  0
 49 94  1  0  0  0  0
 49 95  1  0  0  0  0
 50 96  1  0  0  0  0
 50 97  1  0  0  0  0
 50 98  1  0  0  0  0
M  CHG  4   1  -1   2  -1   9   1  10   1
M  END

$$$$
D0Y6KO
  -OEChem-04152122252D

 36 35  0     1  0  0  0  0  0999 V2000
    7.4871    3.9650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5369    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2690    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8660    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0791    6.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    6.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4871    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  4 14  1  0  0  0  0
  4 34  1  0  0  0  0
  5 16  1  0  0  0  0
  5 35  1  0  0  0  0
  7  6  1  1  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  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

$$$$
D0Y7BD
  -OEChem-10101305032D

 38 40  0     1  0  0  0  0  0999 V2000
    2.8660   -0.6340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   -1.1296    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0743    0.6127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6864    0.5145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 15  2  0  0  0  0
  4 20  1  0  0  0  0
  4 32  1  0  0  0  0
  5 19  2  0  0  0  0
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  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 14  9  1  1  0  0  0
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  9 28  1  0  0  0  0
 10 21  2  0  0  0  0
 11 22  1  0  0  0  0
 11 24  2  0  0  0  0
 12 24  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  6  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 33  1  0  0  0  0
 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  END

$$$$
D0Y7DP
  -OEChem-10121500252D

 29 30  0     1  0  0  0  0  0999 V2000
    5.0298   -1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -1.1307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7208   -2.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.5429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208   -2.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -2.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2208    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.5691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.2614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6238    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  1  0  0  0
  2 24  1  0  0  0  0
 10  3  1  1  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 27  1  0  0  0  0
  5 14  2  0  0  0  0
  6 17  2  0  0  0  0
 11  7  1  6  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  6  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D0Y7EM
          07291102072D 1   1.00000     0.00000     0

 16 17  0     0  0            999 V2000
    1.6417    1.0250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1125    1.7333    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.0292    0.6708    0.0000 O   0  0  0  0  0  0           0  0  0
    3.4917    0.6708    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8875    1.7333    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7417    2.8042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3542    1.7333    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9750    2.0875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3542    3.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9750    2.8042    0.0000 C   0  0  0  0  0  0           0  0  0
  2  5  1  0     0  0
  3  1  2  0     0  0
  4  2  1  0     0  0
  5 10  2  0     0  0
  6 11  1  0     0  0
  7  1  1  0     0  0
  8  7  1  0     0  0
  9  1  1  0     0  0
 10  8  1  0     0  0
 11  8  2  0     0  0
 12  4  1  0     0  0
 13  4  2  0     0  0
 14 13  1  0     0  0
 15 12  2  0     0  0
 16 14  2  0     0  0
  6  2  2  0     0  0
 16 15  1  0     0  0
M  END

$$$$
D0Y7IC
  -OEChem-10121501452D

 43 46  0     0  0  0  0  0  0999 V2000
    3.3461    1.9602    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5025    2.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    0.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3337    1.8038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3183    0.7735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3183    0.7735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3305    4.1594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9523   -2.2653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6306   -3.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183   -3.7653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7306    1.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1428    2.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5396    2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3584    2.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0093   -0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4350    3.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2142   -2.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6 19  2  0  0  0  0
  7 18  3  0  0  0  0
  8 21  1  0  0  0  0
  8 25  2  0  0  0  0
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  9 41  1  0  0  0  0
 10 23  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 43  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D0Y7IU
  -OEChem-10121501352D

 65 69  0     1  0  0  0  0  0999 V2000
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 15  3  1  1  0  0  0
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M  END

$$$$
D0Y7JU
  -OEChem-04152110132D

 66 70  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0Y7KH
  -OEChem-10121500392D

220227  0     1  0  0  0  0  0999 V2000
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107115  1  0  0  0  0
108112  2  0  0  0  0
108210  1  0  0  0  0
109112  1  0  0  0  0
109211  1  0  0  0  0
111212  1  0  0  0  0
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113214  1  0  0  0  0
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115216  1  0  0  0  0
115217  1  0  0  0  0
115218  1  0  0  0  0
116117  2  0  0  0  0
116219  1  0  0  0  0
117220  1  0  0  0  0
M  END

$$$$
D0Y7LD
  -OEChem-02061504012D

 80 83  0     1  0  0  0  0  0999 V2000
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 20 24  1  0  0  0  0
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 20 58  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 25 24  1  1  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 67  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 69  1  0  0  0  0
 27 30  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 29 75  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
 30 78  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
M  END

$$$$
D0Y7PG
  -OEChem-10121500552D

 31 32  0     0  0  0  0  0  0999 V2000
    6.8671    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4030    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
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  2 30  1  0  0  0  0
  3 17  1  0  0  0  0
  3 31  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16 19  2  0  0  0  0
 16 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END

$$$$
D0Y7RW
  -OEChem-10111523562D

 29 30  0     0  0  0  0  0  0999 V2000
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    4.5981   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0Y7TO
  -OEChem-10101305032D

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 35100  1  0  0  0  0
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 36101  1  0  0  0  0
 36102  1  0  0  0  0
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 39 50  2  0  0  0  0
 39 52  1  0  0  0  0
 40 49  2  0  0  0  0
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 41 48  1  0  0  0  0
 41104  1  0  0  0  0
 42 47  1  0  0  0  0
 42103  1  0  0  0  0
 43105  1  0  0  0  0
 43106  1  0  0  0  0
 44107  1  0  0  0  0
 44108  1  0  0  0  0
 45 47  2  0  0  0  0
 46 48  2  0  0  0  0
 49 55  1  0  0  0  0
 49110  1  0  0  0  0
 50 56  1  0  0  0  0
 50109  1  0  0  0  0
 51 53  2  0  0  0  0
 51112  1  0  0  0  0
 52 54  2  0  0  0  0
 52111  1  0  0  0  0
 53 57  1  0  0  0  0
 54 58  1  0  0  0  0
 55 57  2  0  0  0  0
 56 58  2  0  0  0  0
 59113  1  0  0  0  0
 59114  1  0  0  0  0
 59115  1  0  0  0  0
 60116  1  0  0  0  0
 60117  1  0  0  0  0
 60118  1  0  0  0  0
 61 63  1  0  0  0  0
 62 64  1  0  0  0  0
 63 64  1  0  0  0  0
 63121  1  0  0  0  0
 63122  1  0  0  0  0
 64119  1  0  0  0  0
 64120  1  0  0  0  0
 65123  1  0  0  0  0
 65124  1  0  0  0  0
 65128  1  0  0  0  0
 66125  1  0  0  0  0
 66126  1  0  0  0  0
 66127  1  0  0  0  0
 67129  1  0  0  0  0
 67130  1  0  0  0  0
 67131  1  0  0  0  0
 68132  1  0  0  0  0
 68133  1  0  0  0  0
 68134  1  0  0  0  0
 69135  1  0  0  0  0
 69136  1  0  0  0  0
 69137  1  0  0  0  0
 70138  1  0  0  0  0
 70139  1  0  0  0  0
 70140  1  0  0  0  0
 71141  1  0  0  0  0
 71142  1  0  0  0  0
 71143  1  0  0  0  0
 72144  1  0  0  0  0
 72145  1  0  0  0  0
 72146  1  0  0  0  0
 73150  1  0  0  0  0
 73151  1  0  0  0  0
 73152  1  0  0  0  0
 74147  1  0  0  0  0
 74148  1  0  0  0  0
 74149  1  0  0  0  0
M  CHG  2  17   1  18   1
M  END

$$$$
D0Y7TS
  -OEChem-10121501422D

 50 52  0     0  0  0  0  0  0999 V2000
   12.1311    0.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -2.3287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234   -1.3354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.6779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    2.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914   -1.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2593   -0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    1.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196   -2.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9914   -0.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3988   -0.2922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1958   -0.2952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    2.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694    1.2979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    2.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3974   -0.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0102   -1.4492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374   -0.8364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892   -1.1333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4015    1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.1046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7550    1.6622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374    2.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5150    1.6669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2117   -2.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9815   -3.1333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8275   -3.3635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2993   -1.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5295   -0.5308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6834   -0.3006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 22  1  0  0  0  0
  2 26  1  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  2  0  0  0  0
  6 18  2  0  0  0  0
  6 24  1  0  0  0  0
  7 18  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 24  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D0Y7XC
  -OEChem-10121500372D

 29 30  0     1  0  0  0  0  0999 V2000
    7.6371    0.8133    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5043   -0.0070    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.6451   -0.7961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2247    0.0165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9337    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9427   -0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    1.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9187   -1.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6924    0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5043   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2247    0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9306    1.5161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3285    1.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3389   -1.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9458   -1.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3903    1.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6357    1.6807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6525   -1.6834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053   -1.5076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228   -0.2270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -0.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    1.3900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5374   -0.5189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5320    0.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873    1.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927    0.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D0Y7ZD
  -OEChem-10101305022D

 18 17  0     0  0  0  0  0  0999 V2000
    4.2690   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D0Y7ZU
  -OEChem-04152109182D

 23 23  0     0  0  0  0  0  0999 V2000
    2.0544   -0.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576   -1.9349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    2.1356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576   -0.3960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4699    0.4130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    1.3265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -2.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -1.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -1.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -1.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6955    3.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943    2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576   -2.5549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9563   -1.5387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2619    2.7969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9477    3.6155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1291    3.3013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295    2.6476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6777    1.9662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591    1.4144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504   -3.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D0Y8DP
  -OEChem-10101305022D

 36 35  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  4 15  3  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  END

$$$$
D0Y8PT
          01151100062D 1   1.00000     0.00000     0

 22 23  0     0  0            999 V2000
    3.5875   -2.6250    0.0000 N   0  0  3  0  0  0           0  0  0
    4.2042   -2.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2042   -3.6875    0.0000 N   0  0  0  0  0  0           0  0  0
    2.9750   -2.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9750   -3.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5875   -4.0500    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0417   -3.7875    0.0000 N   0  0  0  0  0  0           0  0  0
    7.0417   -3.0750    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4292   -4.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5875   -1.9125    0.0000 C   0  0  3  0  0  0           0  0  0
    5.8167   -3.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4292   -2.7167    0.0000 N   0  0  0  0  0  0           0  0  0
    5.8167   -3.0750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8167   -2.6250    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5875   -4.7542    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1625   -1.5000    0.0000 O   0  0  0  0  0  0           0  0  0
    7.6625   -2.7250    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3542   -4.0375    0.0000 F   0  0  0  0  0  0           0  0  0
    6.4292   -4.8500    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0167   -1.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9417   -0.8250    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2292   -0.8250    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  8  7  1  0     0  0
  9  7  1  0     0  0
 10  1  1  0     0  0
 11  9  1  0     0  0
 12  8  1  0     0  0
 13 11  2  0     0  0
 14  2  2  0     0  0
 15  6  2  0     0  0
 16 10  1  0     0  0
 17  8  2  0     0  0
 18  5  1  0     0  0
 19  9  2  0     0  0
 20 10  1  0     0  0
 21 16  1  0     0  0
 22 20  1  0     0  0
 22 21  1  0     0  0
  6  3  1  0     0  0
 13 12  1  0     0  0
M  END

$$$$
D0Y8ZN
  -OEChem-10101305032D

 28 31  0     0  0  0  0  0  0999 V2000
    7.8167    1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -1.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1224    0.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1224   -1.5894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.0244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7107    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9186    1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7188    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9153   -0.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3224    0.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7006    1.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3095    1.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3288    1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9323    1.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426   -2.1833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426    0.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.6491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  2  0  0  0  0
  4 10  2  0  0  0  0
  4 15  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D0Y9EW
  -OEChem-10121500442D

 51 54  0     0  0  0  0  0  0999 V2000
    2.0000    1.3689    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7242   -0.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7887   -0.8645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744    2.5252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9305   -1.2243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5180    0.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    1.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7457   -0.4520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.9358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7027   -0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3706   -0.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0779    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0994    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886    1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3491   -0.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2291    0.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4715    0.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8442   -1.1115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6019   -1.3592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5531   -1.0414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   -1.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -2.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9952    1.3706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4770   -1.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9558   -0.4498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2212    0.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9133    2.5764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  7 18  2  0  0  0  0
  8 17  1  0  0  0  0
  8 38  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
  9 41  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  2  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 27  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 22  2  0  0  0  0
 17 24  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 23 28  1  0  0  0  0
 24 28  2  0  0  0  0
 24 42  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 31  1  0  0  0  0
 29 48  1  0  0  0  0
 30 32  2  0  0  0  0
 30 49  1  0  0  0  0
 31 33  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
M  END

$$$$
D0Y9GM
  -OEChem-10101305022D

386388  0     1  0  0  0  0  0999 V2000
   10.3312    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    5.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    5.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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161354  1  0  0  0  0
161355  1  0  0  0  0
161356  1  0  0  0  0
162167  2  0  0  0  0
162357  1  0  0  0  0
163167  1  0  0  0  0
163358  1  0  0  0  0
164165  1  0  0  0  0
165360  1  0  0  0  0
165361  1  0  0  0  0
166171  2  0  0  0  0
166172  1  0  0  0  0
167364  1  0  0  0  0
168365  1  0  0  0  0
168366  1  0  0  0  0
169367  1  0  0  0  0
169368  1  0  0  0  0
169369  1  0  0  0  0
170173  1  0  0  0  0
171174  1  0  0  0  0
171376  1  0  0  0  0
172175  2  0  0  0  0
172377  1  0  0  0  0
173380  1  0  0  0  0
173381  1  0  0  0  0
174176  2  0  0  0  0
174382  1  0  0  0  0
175176  1  0  0  0  0
175383  1  0  0  0  0
176384  1  0  0  0  0
M  END

$$$$
D0Y9LL
  SciTegic01161211212D

 26 28  0  0  0  0            999 V2000
    3.4917   -6.9292    0.0000 C   0  0
    4.2042   -7.3417    0.0000 N   0  0
    4.2042   -9.8250    0.0000 N   0  0
    4.2042   -8.1667    0.0000 C   0  0
    3.4917   -6.1042    0.0000 C   0  0
    4.9167   -6.9250    0.0000 C   0  0
    2.7792   -7.3417    0.0000 O   0  0
    3.4917   -8.5792    0.0000 C   0  0
    4.9292   -8.5792    0.0000 C   0  0
    4.9292   -9.4125    0.0000 C   0  0
    3.4917   -9.4125    0.0000 C   0  0
    5.6292   -7.3417    0.0000 C   0  0
    4.9167   -6.1042    0.0000 C   0  0
    4.2042  -10.6500    0.0000 C   0  0
    6.3417   -6.1042    0.0000 C   0  0
    2.7750   -5.6917    0.0000 C   0  0
    6.3417   -6.9292    0.0000 C   0  0
    5.6250   -5.6917    0.0000 C   0  0
    7.0542   -5.6875    0.0000 Cl  0  0
    4.9167  -11.0625    0.0000 C   0  0
    3.4917  -11.0625    0.0000 C   0  0
    2.0667   -6.1042    0.0000 C   0  0
    2.7792   -4.8667    0.0000 C   0  0
    2.0667   -4.4542    0.0000 C   0  0
    1.3542   -5.7000    0.0000 C   0  0
    1.3500   -4.8667    0.0000 C   0  0
  2  1  1  0
  3 10  1  0
  4  2  1  0
  5  1  1  0
  6  2  1  0
  7  1  2  0
  8  4  1  0
  9  4  1  0
 10  9  1  0
 11  8  1  0
 12  6  2  0
 13  6  1  0
 14  3  1  0
 15 18  1  0
 16  5  1  0
 17 12  1  0
 18 13  2  0
 19 15  1  0
 20 14  1  0
 21 14  1  0
 22 16  1  0
 23 16  2  0
 24 23  1  0
 25 22  2  0
 26 24  2  0
 17 15  2  0
 11  3  1  0
 25 26  1  0
M  END

$$$$
D0Y9TS
  -OEChem-10121501412D

167171  0     1  0  0  0  0  0999 V2000
    8.3316    3.2079    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.4138   -8.5752    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.2813   -5.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0921   -4.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5884   -1.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9850   -1.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3996    0.3564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3387   -1.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0065   -2.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4176    2.3831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7603   -3.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0136   -6.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5849    0.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.3124   -4.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3422   -3.4908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7174   -3.1589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5704   -3.9483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   17.6349   -4.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0Y9ZE
  -OEChem-10121500342D

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  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 14  2  0  0  0  0
  3 15  1  0  0  0  0
  4 16  3  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D0YA2L
  -OEChem-04152110512D

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262274  1  0  0  0  0
262532  1  0  0  0  0
263272  1  0  0  0  0
263530  1  0  0  0  0
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264267  1  0  0  0  0
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266535  1  0  0  0  0
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268276  2  0  0  0  0
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270541  1  0  0  0  0
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288579  1  0  0  0  0
289580  1  0  0  0  0
M  END

$$$$
D0YA9Z
  -OEChem-10101305032D

 43 45  0     1  0  0  0  0  0999 V2000
    9.2365    0.8209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715   -1.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  1  0  0  0
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 18  8  1  1  0  0  0
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 10 11  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  1  6  0  0  0
 11 26  1  0  0  0  0
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 12 27  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
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 15 28  1  0  0  0  0
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 15 30  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 35  1  0  0  0  0
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 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D0YB1G
  CDK    6/4/10,11:42

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.5470  -25.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732  -25.0128    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  6 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
 11 12  1  0  0  0  0 
  5  6  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
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 14 15  2  0  0  0  0 
 15  6  1  0  0  0  0 
  2  3  1  0  0  0  0 
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 16 17  2  0  0  0  0 
  3  4  2  0  0  0  0 
 17 18  1  0  0  0  0 
  4  5  1  0  0  0  0 
 18 19  2  0  0  0  0 
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 19 20  1  0  0  0  0 
  8 10  2  0  0  0  0 
 20 21  2  0  0  0  0 
 21 16  1  0  0  0  0 
  3 16  1  0  0  0  0 
  5  1  2  0  0  0  0 
 13 22  1  0  0  0  0 
M  END

$$$$
D0YC7U
          01280518002D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
    6.2792   -2.8292    0.0000 Pt  0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
  3  1  1  0     0  0
  4  6  1  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  7  1  1  0     0  0
  8  1  1  0     0  0
  9  3  1  0     0  0
 10  2  1  0     0  0
 11 15  1  0     0  0
 12 14  1  0     0  0
 13  9  1  0     0  0
 14  8  1  0     0  0
 15  7  1  0     0  0
 16  9  2  0     0  0
 17 10  2  0     0  0
  4 18  1  6     0  0
 19 18  1  0     0  0
 20 18  1  0     0  0
 12 21  1  1     0  0
 11 22  1  6     0  0
 11 12  1  0     0  0
 10 13  1  0     0  0
  4  5  1  0     0  0
M  END

$$$$
D0YF3X
  SciTegic03291108552D

 17 16  0  0  0  0            999 V2000
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    1.6076   -0.9281    0.0000 O   0  0
    1.3056    0.1988    0.0000 O   0  0
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   -0.5359   -1.3406    0.0000 O   0  0
   -0.5359    1.9594    0.0000 O   0  0
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   -0.5359   -0.5156    0.0000 C   0  0
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   -0.5359    1.1344    0.0000 C   0  0
   -1.2503   -0.1031    0.0000 C   0  0
   -1.2503    0.7219    0.0000 C   0  0
    5.9093   -0.1429    0.0000 C   0  0
    4.6718    0.5716    0.0000 C   0  0
    6.3218   -0.8574    0.0000 C   0  0
    3.8468    0.5716    0.0000 C   0  0
  1  2  2  0
  1  3  2  0
  1  4  1  0
  1  8  1  0
  5  9  1  0
  6 11  1  0
  7 14  1  0
  7 15  1  0
  8  9  2  0
  8 10  1  0
  9 12  1  0
 10 11  2  0
 11 13  1  0
 12 13  2  0
 14 16  1  0
 15 17  1  0
M  ENDM  END

$$$$
D0YG7M
  -OEChem-10121501182D

 41 44  0     0  0  0  0  0  0999 V2000
    2.3899    1.9496    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5698    3.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3697   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037    0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4047    0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6272    1.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 16  1  0  0  0  0
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 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D0YH0N
          06301100072D 1   1.00000     0.00000     0

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  4  9  1  0     0  0
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  1  2  2  0     0  0
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 13 14  1  0     0  0
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 17 18  1  0     0  0
  3  7  2  0     0  0
 13 22  1  1     0  0
  3  8  1  0     0  0
M  END

$$$$
D0YH5F
  -OEChem-02061504192D

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M  END

$$$$
D0YP2R
  MDL     03130713202D 1   1.00000     0.00000     0

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M  CHG  3   1   2   3  -1   9  -1
M  ISO  1   1  99
M  END

$$$$
D0YP7B
  -OEChem-03141904502D

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 76 77  1  0  0  0  0
 77136  1  0  0  0  0
 77137  1  0  0  0  0
 77138  1  0  0  0  0
M  END

$$$$
D0YQ0V
  -OEChem-04152110102D

 64 67  0     1  0  0  0  0  0999 V2000
    5.2031   10.6432    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 36 37  1  0  0  0  0
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 38 57  1  0  0  0  0
 40 58  1  0  0  0  0
 40 59  1  0  0  0  0
 40 60  1  0  0  0  0
M  CHG  2   5  -1  14   1
M  END

$$$$
D0YQ5L
  -OEChem-04152108472D

 34 33  0     1  0  0  0  0  0999 V2000
    4.4030    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
M  ISO  1   1 123
M  END

$$$$
D0YS7D
  -OEChem-10121501052D

 22 23  0     1  0  0  0  0  0999 V2000
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    3.3685   -0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4372   -0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    0.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084   -1.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439    0.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4661   -1.4189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078   -0.1031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078   -0.9328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980   -0.9327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980   -0.1032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709   -2.4011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
 10  3  1  1  0  0  0
 11  4  1  6  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  6  0  0  0
  9 11  1  0  0  0  0
  9 15  1  6  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END

$$$$
D0YV1Q
  -OEChem-04152110142D

 69 71  0     1  0  0  0  0  0999 V2000
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    5.3100   -0.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    2.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -1.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420   -3.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    4.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5780   -3.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    4.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8100    2.0205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.5780   -1.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    4.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    1.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5790   -1.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6036    1.5929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4450   -0.0355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    0.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1201    1.2371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760   -1.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    2.0205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.4235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760   -3.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    4.2895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7731   -4.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4300    3.7526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1620    2.0205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    2.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3110   -0.5355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7741   -1.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070   -3.0355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16  1  1  1  0  0  0
 22  1  1  6  0  0  0
 17  2  1  1  0  0  0
 23  2  1  6  0  0  0
 18  3  1  6  0  0  0
  3 55  1  0  0  0  0
  4 22  1  0  0  0  0
  4 29  1  0  0  0  0
  5 23  1  0  0  0  0
  5 31  1  0  0  0  0
 24  6  1  6  0  0  0
  6 62  1  0  0  0  0
 26  7  1  6  0  0  0
  7 63  1  0  0  0  0
 27  8  1  6  0  0  0
  8 64  1  0  0  0  0
 28  9  1  1  0  0  0
  9 65  1  0  0  0  0
 30 10  1  6  0  0  0
 10 66  1  0  0  0  0
 11 33  1  0  0  0  0
 11 69  1  0  0  0  0
 19 12  1  6  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 20 13  1  6  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 25 14  1  1  0  0  0
 14 60  1  0  0  0  0
 14 61  1  0  0  0  0
 15 32  1  0  0  0  0
 15 67  1  0  0  0  0
 15 68  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 26  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  1  0  0  0  0
 25 44  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 29  1  0  0  0  0
 27 46  1  0  0  0  0
 28 30  1  0  0  0  0
 28 47  1  0  0  0  0
 29 33  1  1  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 31 32  1  1  0  0  0
 31 54  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
M  END

$$$$
D0YX4S
  -OEChem-10101305032D

 46 48  0     1  0  0  0  0  0999 V2000
    5.4641   -1.0254    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0441    1.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2713   -0.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5820   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0441   -1.2381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4554   -2.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0105   -0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6826   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3883   -2.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2266   -2.7401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5059   -0.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7922   -2.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0716    0.3877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0195   -1.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  2  0  0  0  0
  3 16  2  0  0  0  0
  4 17  1  0  0  0  0
  4 38  1  0  0  0  0
  5 17  2  0  0  0  0
  6 27  1  0  0  0  0
  6 46  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11  8  1  1  0  0  0
  8 16  1  0  0  0  0
  8 30  1  0  0  0  0
 18  9  1  1  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  6  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
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 22 39  1  0  0  0  0
 23 26  2  0  0  0  0
 23 40  1  0  0  0  0
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 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
M  END

$$$$
D0Z0DW
  -OEChem-10121500252D

 51 53  0     1  0  0  0  0  0999 V2000
   15.5875    0.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1196    1.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7273   -1.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5759    3.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8439    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9914   -0.2329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -1.7496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.2424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -3.3117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.2771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8555    0.2704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
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 14  7  1  1  0  0  0
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 10 29  1  0  0  0  0
 10 32  1  0  0  0  0
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 13 50  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
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 23 42  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 30 46  1  0  0  0  0
M  END

$$$$
D0Z0MG
  -OEChem-10121501372D

 23 22  0     1  0  0  0  0  0999 V2000
    6.8671    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  8  6  1  6  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  7 13  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END

$$$$
D0Z1FX
  -OEChem-10111523572D

 45 48  0     1  0  0  0  0  0999 V2000
    9.1857    2.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4586    0.3575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -2.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    0.8575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.0628   -0.6425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1968   -0.1425    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750    1.1623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628    1.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -0.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0789   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0188   -0.9877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  1  1  1  0  0  0
  1 40  1  0  0  0  0
 11  2  1  6  0  0  0
  2 41  1  0  0  0  0
  3 21  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 16  1  0  0  0  0
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 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
M  END

$$$$
D0Z1QC
  SciTegic11201417452D

 62 58  0  0  0  0            999 V2000
    0.8303   -0.0091    0.0000 C   0  0
    1.2428   -0.7236    0.0000 O   0  0
    0.0053   -0.0091    0.0000 C   0  0
   -0.4072   -0.7236    0.0000 O   0  0
   -0.4072    0.7054    0.0000 C   0  0
   -1.2322    0.7054    0.0000 O   0  0
    9.2528    1.9192    0.0000 C   0  0
    7.0984    3.9401    0.0000 C   0  0
    9.2486    2.7001    0.0000 O   0  0
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    7.0984    4.7668    0.0000 O   0  0
    7.8207    3.5268    0.0000 O   0  0
    9.2486    3.5268    0.0000 C   0  0
    8.5347    3.9401    0.0000 C   0  0
   10.6808    3.5268    0.0000 O   0  0
    8.5514    1.4934    0.0000 C   0  0
    6.3844    3.5268    0.0000 C   0  0
    9.9668    3.9401    0.0000 C   0  0
    8.5639    0.6666    0.0000 C   0  0
    5.6704    3.9401    0.0000 C   0  0
    7.1861   -1.8385    0.0000 C   0  0
    2.8020    3.9401    0.0000 C   0  0
    3.5243    3.5268    0.0000 C   0  0
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    4.9565    3.5268    0.0000 C   0  0
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    6.4804   -2.2727    0.0000 C   0  0
    2.0880    3.5268    0.0000 C   0  0
   -3.1753   -3.9425    0.0000 O   0  0
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  -10.4920    2.9666    0.0000 C   0  0
  1  2  1  0
  1  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  8 12  1  0
  9  7  1  0
 10  7  2  0
 11  8  2  0
 12 14  1  0
 13  9  1  0
 14 13  1  0
 15 18  1  0
 16  7  1  0
 17  8  1  0
 18 13  1  0
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 21 24  1  0
 22 23  1  0
 23 26  1  0
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 27 19  1  0
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 29 21  1  0
 30 22  1  0
 31 35  1  0
 31 37  1  0
 32 35  2  0
 33 36  1  0
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 35 38  1  0
 36 37  1  0
 36 39  1  0
 38 40  1  0
 40 41  1  0
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 46 50  1  0
 46 52  1  0
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 49 55  1  0
 50 53  1  0
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 54 56  1  0
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 59 60  1  0
 60 61  1  0
 61 62  1  0
M  ENDM  END

$$$$
D0Z1RV
  -OEChem-04152108392D

 42 45  0     0  0  0  0  0  0999 V2000
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  1 22  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D0Z1UA
  -OEChem-10121501202D

 54 57  0     1  0  0  0  0  0999 V2000
   15.9885    1.6618    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6618    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3961    0.1377    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   14.2183    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  2  0  0  0  0
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 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
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 22 49  1  0  0  0  0
 23 27  2  0  0  0  0
 23 50  1  0  0  0  0
 24 28  2  0  0  0  0
 24 51  1  0  0  0  0
 25 29  2  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D0Z1WA
  -OEChem-10121500112D

 43 44  0     1  0  0  0  0  0999 V2000
    5.4641    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.3692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3580   -2.3797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 38  1  0  0  0  0
  2 17  1  0  0  0  0
  2 43  1  0  0  0  0
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 10 15  1  0  0  0  0
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 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D0Z1XD
  -OEChem-10121501022D

 52 55  0     1  0  0  0  0  0999 V2000
    9.1493    1.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0Z1ZM
  -OEChem-04152110302D

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M  END

$$$$
D0Z2LG
  -OEChem-10101305032D

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M  END

$$$$
D0Z2RA
  -OEChem-04152109312D

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    3.7675   -1.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3970   -1.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230    1.6259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177    1.9964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5882    1.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  6  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  6  0  0  0
  7  9  1  0  0  0  0
  7 15  1  1  0  0  0
  8 10  1  0  0  0  0
  8 16  1  6  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END

$$$$
D0Z3DY
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    7.5673    2.5344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.2816   -0.8553    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.9652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445   -1.3223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -0.9238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249   -2.7104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719   -2.9373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -2.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -0.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0956    1.6351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 11  2  0  0  0  0
  5 22  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END

$$$$
D0Z3EI
  -OEChem-04152109112D

 18 19  0     0  0  0  0  0  0999 V2000
    6.3981   -0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END

$$$$
D0Z4BV
          01210515512D 1   1.00000     0.00000     0

 11 11  0     0  0            999 V2000
    4.7250   -2.8917    0.0000 N   0  0  3  0  0  0           0  0  0
    5.2917   -3.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0792   -3.9917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7250   -2.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1542   -3.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3417   -1.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3667   -3.9917    0.0000 C   0  0  3  0  0  0           0  0  0
    5.9750   -3.0792    0.0000 O   0  0  0  0  0  0           0  0  0
    5.3417   -1.1125    0.0000 O   0  0  0  0  0  0           0  0  0
    5.9542   -2.1792    0.0000 N   0  0  0  0  0  0           0  0  0
    3.9417   -4.5625    0.0000 O   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5  1  1  0     0  0
  6  4  1  0     0  0
  7  5  1  0     0  0
  8  2  2  0     0  0
  9  6  2  0     0  0
 10  6  1  0     0  0
 11  7  1  0     0  0
  7  3  1  0     0  0
M  END

$$$$
D0Z4EI
  Marvin  10201522222D          

 11 11  0  0  1  0            999 V2000
    0.7794   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0650   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0650   -0.5625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7794   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0650    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    0.6750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6495   -0.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3640   -0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3640    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  1  0  0  0
  8 11  1  6  0  0  0
M  END

$$$$
D0Z4NI
  -OEChem-04152122252D

 15 12  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D0Z4PE
  -OEChem-10101305032D

 83 89  0     1  0  0  0  0  0999 V2000
   12.7041    2.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8411   -2.3434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4781   -1.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6104    3.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9900   -4.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9701   -4.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    3.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9197    0.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9718    5.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6189    1.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    4.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2441   -2.8486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7037    2.0306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2037    1.1646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2341   -2.9894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6071   -3.9172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2037    2.8967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8511   -2.2025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5971   -4.0581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2141   -3.2712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6190   -0.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9045    0.4066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2091    3.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4979    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7640    2.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3243    1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3395    1.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042   -3.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0300    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8243    2.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2640   -0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8672    4.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6271   -3.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2640   -0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2769    0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2921    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493    1.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    1.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9653   -0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0206    2.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3225    0.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827    2.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929   -0.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3572    3.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314    3.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0630    5.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0024    0.8738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8479   -3.0768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9933   -3.8299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0Z4SB
  -OEChem-10121500592D

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M  END

$$$$
D0Z4UN
  -OEChem-10121500562D

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M  END

$$$$
D0Z4UY
  -OEChem-04152122272D

  8  6  0     0  0  0  0  0  0999 V2000
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  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D0Z4XW
  -OEChem-10101305032D

 56 59  0     1  0  0  0  0  0999 V2000
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 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END

$$$$
D0Z4ZT
  -OEChem-10111523582D

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 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
M  END

$$$$
D0Z5BC
  SciTegic01311418092D

 13 12  0  0  0  0            999 V2000
    1.6307   -0.2467    0.0000 C   0  0
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   -3.3823    0.1610    0.0000 C   0  0
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  2  1  1  0
  3  1  2  0
  4  7  1  0
  5  4  2  0
  6  1  1  0
  7  9  1  0
  8  6  1  0
  9 10  1  0
 10 13  1  0
 11 12  1  0
 12  8  1  0
 13 11  1  0
M  END

$$$$
D0Z5EM
  -OEChem-10121500302D

 41 43  0     1  0  0  0  0  0999 V2000
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 10  7  1  1  0  0  0
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 18  8  1  1  0  0  0
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 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D0Z5IU
  -OEChem-10121500372D

 42 44  0     1  0  0  0  0  0999 V2000
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  1  5  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
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 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
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 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 20 23  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D0Z5OE
  -OEChem-10121501032D

 28 29  0     1  0  0  0  0  0999 V2000
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    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D0Z5OV
  CDK    9/16/09,9:46

 20 22  0  0  0  0  0  0  0  0999 V2000
   12.4865   -9.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4853   -9.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2036  -10.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2018   -8.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7671  -10.3833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   13.9140   -9.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5528   -8.6343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5528  -10.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3521   -8.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7115   -9.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535  -11.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390  -11.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8403  -12.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5555  -12.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2666  -12.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2659  -11.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8672   -8.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9796  -11.3071    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  8 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  5  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 12  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  6  2  0  0  0  0 
 13 14  2  0  0  0  0 
  6  7  1  0  0  0  0 
 14 15  1  0  0  0  0 
  1  2  2  0  0  0  0 
 15 16  2  0  0  0  0 
  7  8  1  0  0  0  0 
 16 17  1  0  0  0  0 
  7  4  2  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
  9 13  1  0  0  0  0 
  6  9  1  0  0  0  0 
 10 19  2  0  0  0  0 
  4  1  1  0  0  0  0 
 18 20  1  0  0  0  0 
M  END

$$$$
D0Z5QI
  -OEChem-08301509472D

124128  0     1  0  0  0  0  0999 V2000
    7.9682   14.2001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4683    8.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    4.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3934    9.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1334   13.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3654   14.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4994   16.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9013   12.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6334   16.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6334   12.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6334   14.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2003    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2003    8.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    8.0845    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.2152    5.2330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    3.6235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2003    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3343    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0664    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3343    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0664    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2003    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3343    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0664    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3343    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3343    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9324    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0664    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4683   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4683    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2003    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7984    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9324   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5259    6.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7984    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579    9.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    6.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4683    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2003    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364    9.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3343    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7470   10.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2784    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6769    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7237    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1223    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4124    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 63119  1  0  0  0  0
 63120  1  0  0  0  0
M  END

$$$$
D0Z5SM
  -OEChem-10101305022D

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M  CHG  2   2   1   4  -1
M  END

$$$$
D0Z6QG
  -OEChem-10121501412D

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 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
M  END

$$$$
D0Z6ST
  -OEChem-04152109262D

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 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END

$$$$
D0Z6UC
  -OEChem-10121500372D

 41 42  0     0  0  0  0  0  0999 V2000
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 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END

$$$$
D0Z7KE
  -OEChem-04152108582D

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 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
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 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
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 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D0Z7ZM
  -OEChem-10101305032D

 63 66  0     0  0  0  0  0  0999 V2000
    5.4641   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9641   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6065   -1.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9171    0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335   -2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
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  8 21  1  0  0  0  0
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 10 25  2  0  0  0  0
 11 21  2  0  0  0  0
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 13 15  1  0  0  0  0
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 15 40  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 46  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 29 31  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D0Z8AA
  -OEChem-04152122242D

  9  9  0     0  0  0  0  0  0999 V2000
    3.0000   -0.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    0.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -0.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END

$$$$
D0Z8AE
  -OEChem-04152122332D

  4  3  0     0  0  0  0  0  0999 V2000
    3.0000   -0.5000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END

$$$$
D0Z8EX
  -OEChem-10101305022D

 28 29  0     1  0  0  0  0  0999 V2000
    4.5411   -0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131   -3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.8815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.3815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2320   -1.6573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 13  2  0  0  0  0
  4 15  2  0  0  0  0
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  5 13  1  0  0  0  0
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  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
  8 18  1  0  0  0  0
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  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D0Z8HG
  -OEChem-10121500172D

 97102  0     1  0  0  0  0  0999 V2000
   10.3658    2.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7158   -2.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1089    0.8028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2429   -0.6972    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3768   -0.1972    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4668   -0.7041    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6387    0.3028    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0551    1.1075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0551   -0.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4588   -1.7456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2429    1.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3768    0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2589   -1.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1089    1.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8440   -3.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1988   -1.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9822   -1.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1130    0.2278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0249   -0.4544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6676    1.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041   -1.0688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5925   -0.8112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621   -2.5956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6414    1.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    1.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648    1.3854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7663    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4770   -2.3191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8681   -1.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9636   -2.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.7394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9482    0.3267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1501    0.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7289    1.8028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1089    2.4228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    1.8028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261   -2.7714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9243   -2.7683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522   -0.9727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0945    0.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4793    0.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8546    0.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826   -2.3729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4267    1.8854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0281    1.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1062   -0.6722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9033   -0.6722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6018   -0.2532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8287   -1.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6757   -0.8732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5828   -0.2798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9814    0.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9033    2.2777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1062    2.2777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9814    1.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5828    1.8854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562   -1.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532   -1.1274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3528    0.7273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    1.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2873    1.8223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -0.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -0.7180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8063    1.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    0.7614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5979    3.5603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2012    4.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4193    3.9455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361   -3.2081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059   -4.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519   -4.2843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  1  0  0  0
  1 34  1  0  0  0  0
 25  2  1  6  0  0  0
  2 38  1  0  0  0  0
  3 34  2  0  0  0  0
  4 38  2  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
 23  6  1  1  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
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 11 24  1  1  0  0  0
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 12 44  1  6  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 19  1  0  0  0  0
 15 22  1  0  0  0  0
 15 48  1  6  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 23  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 25  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 25  1  0  0  0  0
 23 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 30  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 29  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 29 31  1  0  0  0  0
 29 78  1  0  0  0  0
 29 79  1  0  0  0  0
 30 31  1  0  0  0  0
 30 76  1  0  0  0  0
 30 77  1  0  0  0  0
 31 80  1  0  0  0  0
 31 81  1  0  0  0  0
 32 35  1  0  0  0  0
 32 84  1  0  0  0  0
 32 85  1  0  0  0  0
 33 36  1  0  0  0  0
 33 82  1  0  0  0  0
 33 83  1  0  0  0  0
 34 39  1  0  0  0  0
 35 37  1  0  0  0  0
 35 86  1  0  0  0  0
 35 87  1  0  0  0  0
 36 37  1  0  0  0  0
 36 88  1  0  0  0  0
 36 89  1  0  0  0  0
 37 90  1  0  0  0  0
 37 91  1  0  0  0  0
 38 40  1  0  0  0  0
 39 92  1  0  0  0  0
 39 93  1  0  0  0  0
 39 94  1  0  0  0  0
 40 95  1  0  0  0  0
 40 96  1  0  0  0  0
 40 97  1  0  0  0  0
M  CHG  1   5   1
M  END

$$$$
D0Z8SF
  -OEChem-04152110102D

 18 18  0     1  0  0  0  0  0999 V2000
    2.6723   -2.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.1139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5691   -0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125    0.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -0.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    0.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -2.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -1.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    0.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -0.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  1  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END

$$$$
D0Z9NZ
  -OEChem-10121501162D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0000    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.4067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    1.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    1.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    0.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3520    1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9220    3.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    3.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D0Z9PX
  SciTegic01161211242D

 27 27  0  0  0  0            999 V2000
   -0.0458   -1.3667    0.0000 N   0  3
   -1.4458   -2.6042    0.0000 C   0  0
   -1.8083   -1.9917    0.0000 C   0  0
   -0.3875   -1.9792    0.0000 C   0  0
   -1.0958   -1.9917    0.0000 C   0  0
   -2.0583   -2.9667    0.0000 C   0  0
   -0.8333   -2.9625    0.0000 C   0  0
   -2.5125   -1.9917    0.0000 O   0  0
    0.1792   -2.0917    0.0000 I   0  5
   -0.0458   -0.6542    0.0000 C   0  0
    0.6667   -1.3542    0.0000 C   0  0
   -1.4583   -1.3750    0.0000 N   0  0
   -0.6583   -1.0125    0.0000 C   0  0
   -0.8333   -3.6667    0.0000 C   0  0
   -0.2250   -2.6042    0.0000 C   0  0
   -2.0583   -3.6792    0.0000 C   0  0
   -2.6708   -2.6125    0.0000 C   0  0
    0.5625   -0.2917    0.0000 C   0  0
   -0.6625   -0.3042    0.0000 C   0  0
    1.0167   -0.7417    0.0000 C   0  0
    1.0250   -1.9667    0.0000 C   0  0
    0.3875   -2.9542    0.0000 C   0  0
   -3.2833   -2.9667    0.0000 C   0  0
   -2.6708   -4.0292    0.0000 C   0  0
   -0.2208   -4.0167    0.0000 C   0  0
   -3.2833   -3.6792    0.0000 C   0  0
    0.3917   -3.6667    0.0000 C   0  0
  2  5  1  0
  3  2  1  0
  4  1  1  0
  5  4  1  0
  6  2  1  0
  7  2  1  0
  8  3  2  0
 10  1  1  0
 11  1  1  0
 12  3  1  0
 13  1  1  0
 14  7  2  0
 15  7  1  0
 16  6  1  0
 17  6  2  0
 18 10  1  0
 19 10  1  0
 20 11  1  0
 21 11  1  0
 22 15  2  0
 23 17  1  0
 24 16  2  0
 25 14  1  0
 26 24  1  0
 27 22  1  0
 27 25  2  0
 26 23  2  0
M  CHG  2   1   1   9  -1
M  ENDM  END

$$$$
D0Z9QR
  -OEChem-10121500292D

 28 29  0     1  0  0  0  0  0999 V2000
    4.5411   -0.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131   -3.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D0Z9VB
  -OEChem-10121501162D

 36 38  0     0  0  0  0  0  0999 V2000
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 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END

$$$$
D0ZB7K
  -OEChem-10121501352D

 44 47  0     1  0  0  0  0  0999 V2000
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 25 43  1  0  0  0  0
 26 27  2  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D0ZI4H
  -OEChem-10101305032D

 67 67  0     1  0  0  0  0  0999 V2000
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 27 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
M  END

$$$$
D0ZJ1C
  -OEChem-10101305032D

 58 59  0     1  0  0  0  0  0999 V2000
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    3.0703    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 26  2  0  0  0  0
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 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 55  1  0  0  0  0
 28 30  1  0  0  0  0
 28 56  1  0  0  0  0
M  END

$$$$
D0ZK8H
  -OEChem-08301509502D

 20 19  0     1  0  0  0  0  0999 V2000
    4.5981    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END

$$$$
D0ZS6R
  -OEChem-04152122232D

167165  0     1  0  0  0  0  0999 V2000
    3.4746   10.3881    0.0000 Tc  2  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  8   1   5   6  -1   7   1  15  -1  21  -1  23  -1  25  -1  27  -2
M  ISO  1   1  99
M  END

$$$$
D0ZS8P
  -OEChem-10111523462D

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M  END

$$$$
D0ZU9R
  -OEChem-10101305022D

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M  END

$$$$
D0ZV0Z
  -OEChem-10101305022D

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   10.3370    1.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
  2 21  1  0  0  0  0
  2 29  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 32  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
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 14 38  1  0  0  0  0
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 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
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 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 25  2  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END

$$$$
D0ZX1P
  -OEChem-10121501552D

 30 32  0     1  0  0  0  0  0999 V2000
    3.7320   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3 17  3  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D0ZX2G
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    6.2386    0.1416    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1198   -1.8794    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.2057    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    3.2057    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9226    2.0209    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2057    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.9834    1.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  1  0  0  0  0
  5 19  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
M  END

$$$$
D1CWL0
  -OEChem-06062108542D

 76 80  0     1  0  0  0  0  0999 V2000
    9.0630    8.3248    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0265   13.3395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0132    9.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0630    9.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    8.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6700    3.6680    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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 40 75  1  0  0  0  0
M  END

$$$$
D4LOR2
  -OEChem-06062108532D

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M  END

$$$$
D4Q5AW
  -OEChem-06062108522D

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  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 30  1  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 22  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 27  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  END

$$$$
D5IS6V
  -OEChem-06062108512D

 26 27  0     0  0  0  0  0  0999 V2000
    6.3301   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  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
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END

$$$$
D63WMQ
  -OEChem-06062108542D

 68 70  0     1  0  0  0  0  0999 V2000
    4.5923    0.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0005    2.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7744    1.7726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564   -1.2726    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7359    2.7549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564   -1.2934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2564   -0.2726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4564   -0.2517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3624   -1.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -1.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1224    0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1063    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0044    1.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    1.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.7549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.6385    1.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4600    0.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9688   -2.2862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9821   -1.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7239   -2.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5209   -2.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2005   -1.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5990   -1.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5985   -3.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5659    1.5727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317   -0.0819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200   -2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1767    2.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3264    0.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1742    0.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9506    1.8050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  2 29  1  0  0  0  0
  3 24  1  0  0  0  0
  3 30  1  0  0  0  0
  4 23  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
 25  6  1  6  0  0  0
  6 55  1  0  0  0  0
  6 56  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  1  0  0  0
  7 31  1  0  0  0  0
  8 11  1  0  0  0  0
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  8 32  1  1  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 17  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 44  1  0  0  0  0
 18 22  1  0  0  0  0
 18 45  1  0  0  0  0
 19 24  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 54  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 30 68  1  0  0  0  0
M  END

$$$$
D7I9JH
  -OEChem-06062108512D

  7  6  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  CHG  1   3  -1
M  END

$$$$
D7S9LP
  -OEChem-06062108512D

184184  0     1  0  0  0  0  0999 V2000
   18.4545  -11.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    9.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865  -10.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9545  -10.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9545  -12.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904  -12.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263  -11.5950    0.0000 O   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
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    2.8660   -5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320  -11.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    4.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D81KMY
  -OEChem-06062108512D

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M  END

$$$$
D9E6KQ
  -OEChem-06062108512D

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M  CHG  3   1   2   7  -1   9  -1
M  ISO  1   1  64
M  END

$$$$
DBG46D
  -OEChem-06062108512D

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 65 68  1  0  0  0  0
 65121  1  0  0  0  0
 65122  1  0  0  0  0
M  CHG  6   1   3   2  -1   5  -1   8  -1  10  -1 127   1
M  ISO  1   1  68
M  END

$$$$
DE5N3K
  -OEChem-06062108512D

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M  END

$$$$
DF36DY
  -OEChem-06062108512D

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M  END

$$$$
DNF9L1
  -OEChem-06062108512D

 25 25  0     1  0  0  0  0  0999 V2000
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 14 20  1  0  0  0  0
M  ISO  1   1  18
M  END

$$$$
DQ1S0B
  -OEChem-06062108582D

 67 71  0     1  0  0  0  0  0999 V2000
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 33 59  1  0  0  0  0
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 36 41  1  0  0  0  0
 37 40  1  0  0  0  0
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 39 40  2  0  0  0  0
 39 62  1  0  0  0  0
 40 63  1  0  0  0  0
 41 64  1  0  0  0  0
 41 65  1  0  0  0  0
M  END

$$$$
DR36YB
  -OEChem-06062108512D

 52 56  0     1  0  0  0  0  0999 V2000
   12.9422   -0.9508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0383    1.4445    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6661   -2.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5684    2.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7024    0.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4344    0.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8084    1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5684    1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8082   -2.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3005    1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4540   -1.5340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 22 25  2  0  0  0  0
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 25 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 29 31  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
DRL5Y7
  -OEChem-06062108512D

 38 38  0     1  0  0  0  0  0999 V2000
    8.3437    3.5475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 26  1  0  0  0  0
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 13 15  1  0  0  0  0
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 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
DU8CF6
  -OEChem-06062108532D

 28 29  0     1  0  0  0  0  0999 V2000
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    6.3301    1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  6  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  2  0  0  0  0
  7 18  1  0  0  0  0
  8 17  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

$$$$
DX7M4S
  -OEChem-06062108522D

 20 20  0     0  0  0  0  0  0999 V2000
    6.3301    0.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END

$$$$
