D00ABO
  -OEChem-10121500412D

 45 48  0     0  0  0  0  0  0999 V2000
    6.5422    3.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    3.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1456    3.5160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.8662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    4.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    4.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    2.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    0.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4787    4.6737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8854    4.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301    2.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0877    1.7840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0041    4.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2465    4.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8555    1.9458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4488    2.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7523    3.6438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739    1.3304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    0.6622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707   -0.2095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -1.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749   -0.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -4.2603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 42  1  0  0  0  0
  5 18  2  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  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 13 16  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 22  2  0  0  0  0
 18 21  1  0  0  0  0
 19 23  2  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
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END

$$$$
D00AKV
          01150800122D 1   1.00000     0.00000     0

 15 16  0     0  0            999 V2000
    3.9270    1.3249    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7562    1.3249    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1687    0.6083    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7562   -0.1082    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9270   -0.1082    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5145    0.6083    0.0000 N   0  0  3  0  0  0           0  0  0
    3.5145    2.0334    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6854    0.6083    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2729   -0.1082    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4437   -0.1082    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0312    0.6083    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4437    1.3249    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2729    1.3249    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2020    0.6083    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1687   -0.8249    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  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  6  1  1  0     0  0
  1  7  2  0     0  0
  9  8  1  0     0  0
 10  9  2  0     0  0
 11 10  1  0     0  0
 12 11  2  0     0  0
 13 12  1  0     0  0
 13  8  2  0     0  0
 11 14  1  0     0  0
  6  8  1  0     0  0
  4 15  1  0     0  0
M  END

$$$$
D00AUC
  -OEChem-02041520552D

109102  0     0  0  0  0  0  0999 V2000
    2.1835    6.1044    0.0000 Tc  2  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   11.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   16.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641   10.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1982    8.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    7.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   12.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   17.6118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   11.5074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3322   10.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7331    5.8059    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7331   10.7089    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7331   15.6118    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8660    9.5074    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6001    8.2574    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5991    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   11.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   16.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   10.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4662    8.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   10.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991   16.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   15.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9662    9.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9662    7.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    9.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    7.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    5.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991   12.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   10.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   11.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3322    9.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   10.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   16.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   11.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   16.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   10.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0643    9.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4030    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.8671    5.3059    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.8671   10.2089    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.8671   15.1118    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0074    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   13.7341    7.7574    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.6360    7.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 40  1  0  0  0  0
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  3 39  1  0  0  0  0
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 44 92  1  0  0  0  0
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 46100  1  0  0  0  0
 47101  1  0  0  0  0
 47102  1  0  0  0  0
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 48106  1  0  0  0  0
 49107  1  0  0  0  0
 49108  1  0  0  0  0
 49109  1  0  0  0  0
M  CHG  8  14   1  15   1  16   1  17   1  18   1  19   1  50  -1  51  -1
M  CHG  4  52  -1  53  -1  54  -1  55  -1
M  ISO  1   1  99
M  END

$$$$
D00AUX
  -OEChem-04152122302D

 43 45  0     1  0  0  0  0  0999 V2000
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 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END

$$$$
D00AYA
  -OEChem-02041520582D

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 63114  1  0  0  0  0
M  END

$$$$
D00AYW
  -OEChem-03141904492D

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M  END

$$$$
D00BHL
  -OEChem-04152110182D

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   10.3890    2.1329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8013    4.5575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 47 48  2  0  0  0  0
 48 84  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
M  END

$$$$
D00BMF
  -OEChem-10191522562D

 44 47  0     1  0  0  0  0  0999 V2000
    4.2690    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 32  1  0  0  0  0
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 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D00BND
  -OEChem-10121501562D

 51 54  0     0  0  0  0  0  0999 V2000
    7.2622   -2.9827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 18 39  1  0  0  0  0
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 20 22  1  0  0  0  0
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 25 26  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

$$$$
D00BOY
  -OEChem-10101305032D

 58 59  0     1  0  0  0  0  0999 V2000
    6.0010   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    2.1800    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 48  1  0  0  0  0
  2 13  2  0  0  0  0
  3 30  1  0  0  0  0
  3 49  1  0  0  0  0
  4 30  1  0  0  0  0
  4 50  1  0  0  0  0
  5 18  2  0  0  0  0
 11  6  1  6  0  0  0
  6 13  1  0  0  0  0
  6 36  1  0  0  0  0
 12  7  1  1  0  0  0
  7 18  1  0  0  0  0
  7 44  1  0  0  0  0
  8 19  1  0  0  0  0
  8 21  2  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
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 33  1  0  0  0  0
 11 30  1  0  0  0  0
 11 34  1  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
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  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 45  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
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 52  1  0  0  0  0
 23 53  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
 29 58  1  0  0  0  0
M  END

$$$$
D00BTW
          01230517122D 1   1.00000     0.00000     0

 22 23  0     0  0            999 V2000
    2.2042   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8250   -3.0042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4167   -1.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4417   -2.6542    0.0000 N   0  0  0  0  0  0           0  0  0
    1.5000   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6750   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2875   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8542   -1.5625    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8250   -3.7250    0.0000 S   0  0  0  0  0  0           0  0  0
    1.2792   -1.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0542   -3.0042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2875   -3.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7625   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1417   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6750   -4.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0542   -3.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9125   -2.6542    0.0000 O   0  0  0  0  0  0           0  0  0
    5.9125   -4.0875    0.0000 Cl  0  0  0  0  0  0           0  0  0
    6.5292   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1000   -1.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3792   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7625   -3.7250    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  1  1  0     0  0
  6 11  2  0     0  0
  7  6  1  0     0  0
  8  3  1  0     0  0
  9  2  2  0     0  0
 10  5  2  0     0  0
 11  4  1  0     0  0
 12 15  1  0     0  0
 13 14  2  0     0  0
 14 19  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
 17  7  1  0     0  0
 18 12  1  0     0  0
 19 17  1  0     0  0
 20  3  1  0     0  0
 21 13  1  0     0  0
 22 13  1  0     0  0
 10  8  1  0     0  0
  7 12  2  0     0  0
M  END

$$$$
D00BUR
  -OEChem-10191522552D

 39 41  0     0  0  0  0  0  0999 V2000
    4.4030    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.8660    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
    4.4030    0.0000    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
    4.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    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
    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
    3.5369    1.5000    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
    5.9030   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    0.8660    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
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  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  2  0  0  0  0
 12 27  1  0  0  0  0
 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 20  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 32  1  0  0  0  0
 17 23  2  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 33  1  0  0  0  0
 20 24  2  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 24 39  1  0  0  0  0
M  END

$$$$
D00BWF
  -OEChem-10101305022D

 32 33  0     1  0  0  0  0  0999 V2000
    6.0875    2.8080    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.6865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00BYM
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M  END

$$$$
D00BZS
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M  END

$$$$
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   -0.7125   -1.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6500    2.9208    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.2042    0.4000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7167   -2.8917    0.0000 H   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  7  2  0     0  0
  4  3  1  0     0  0
  5  1  1  0     0  0
  6  2  2  0     0  0
  7 10  1  0     0  0
  8  4  1  0     0  0
  9  5  1  0     0  0
 10  9  2  0     0  0
 11 23  1  0     0  0
 12 11  3  0     0  0
 13  5  1  0     0  0
 14 17  1  0     0  0
 15  3  1  0     0  0
 16 12  1  0     0  0
 17 15  1  0     0  0
 18  4  2  0     0  0
 19  2  1  0     0  0
 20  1  1  0     0  0
  8 21  1  1     0  0
  1 22  1  1     0  0
 23 19  1  0     0  0
 24 16  1  0     0  0
 17 25  1  6     0  0
 26 27  1  0     0  0
 27 20  1  0     0  0
 28 16  1  0     0  0
 29 16  1  0     0  0
 19 30  1  6     0  0
  5 31  1  6     0  0
  6 13  1  0     0  0
 26  9  1  0     0  0
  8 14  1  0     0  0
M  ENDM  END

$$$$
D00CLM
          09100900062D 1   1.00000     0.00000     0

 28 30  0     0  0            999 V2000
   -5.0098    0.0041    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.0109   -0.7231    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3836   -1.0860    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7505   -0.7227    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7533    0.0078    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3854    0.3628    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.6382   -1.0851    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -4.3838   -1.8068    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -3.1321    0.3689    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4752    0.0761    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9922    0.6163    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3574    1.2418    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0595    1.0879    0.0000 S   0  0  0  0  0  0           0  0  0
   -2.3227   -0.6304    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2713    0.5457    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9746   -0.1151    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.8515    1.1316    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2622   -0.1857    0.0000 N   0  0  0  0  0  0           0  0  0
    0.0346   -0.8464    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7553   -0.9254    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3812   -1.4365    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1120   -1.5475    0.0000 S   0  0  0  0  0  0           0  0  0
    1.8185   -1.3939    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8932   -0.6771    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2341   -0.3821    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3502   -1.8727    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2109   -2.5845    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0465   -1.6482    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
 10 14  1  0     0  0
  2  7  1  0     0  0
 11 15  1  0     0  0
  3  4  2  0     0  0
 15 16  2  0     0  0
  3  8  1  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
  5  9  1  0     0  0
 18 19  1  0     0  0
  9 10  2  0     0  0
 19 20  1  0     0  0
  4  5  1  0     0  0
 19 21  2  0     0  0
 20 22  1  0     0  0
  2  3  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
 10 11  1  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 20  2  0     0  0
 11 12  2  0     0  0
 23 26  1  0     0  0
 12 13  1  0     0  0
 26 27  1  0     0  0
 13  9  1  0     0  0
 26 28  2  0     0  0
M  END

$$$$
D00CMV
  -OEChem-10101305022D

 50 53  0     1  0  0  0  0  0999 V2000
    8.3673   -0.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -0.1461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.0106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3809    3.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4731    3.7674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9939   -1.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3660   -3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2778    2.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6350    0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5523    1.7571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1896    3.0973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0491    0.2173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9178    3.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  6  2  1  6  0  0  0
  2 19  1  0  0  0  0
  2 35  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 50  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 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  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 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  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 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 44  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 36  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 23 26  1  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 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D00CVJ
  -OEChem-04152122302D

 39 41  0     0  0  0  0  0  0999 V2000
    2.8660   -1.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315    2.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    0.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5670    3.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -3.0926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -2.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2778    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9206    3.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1072   -0.4453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201   -0.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6139   -2.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -3.6819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    1.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6919    1.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5281    3.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1133    4.2712    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 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3 17  2  0  0  0  0
  4 21  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  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 12  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  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 14  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
 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
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  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
 21 23  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
M  END

$$$$
D00DAE
  -OEChem-04152111342D

 54 56  0     0  0  0  0  0  0999 V2000
   11.7766    6.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    6.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.5086    9.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1785    7.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2769    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    4.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5225    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    3.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1785    2.9250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2649    3.3317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5958    2.5886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8171    1.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6946    0.7045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.0225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.5225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0445    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0445    4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0740    1.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1785    4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0445    6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    1.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1785    5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0445    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6891    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7766    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7766    9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6426    7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6426    8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    4.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    6.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2566    2.8424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6551    3.5327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6416    4.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4475    4.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1360    3.9382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4068    1.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6882    0.6549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3736    9.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7766    6.8050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7766   10.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1795    7.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4424    0.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.4025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    5.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 33  1  0  0  0  0
  4 26  2  0  0  0  0
  5 28  2  0  0  0  0
  6 36  2  0  0  0  0
  7 37  2  0  0  0  0
  8 38  1  0  0  0  0
  9 38  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 12 23  2  0  0  0  0
 13 19  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 28  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 34  1  0  0  0  0
 15 36  1  0  0  0  0
 15 52  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 54  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 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 41  1  0  0  0  0
 21 24  2  0  0  0  0
 21 42  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 28  1  0  0  0  0
 26 27  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 46  1  0  0  0  0
 30 32  2  0  0  0  0
 30 47  1  0  0  0  0
 31 33  2  0  0  0  0
 31 48  1  0  0  0  0
 32 33  1  0  0  0  0
 32 49  1  0  0  0  0
 34 35  2  0  0  0  0
 34 38  1  0  0  0  0
 35 37  1  0  0  0  0
 35 53  1  0  0  0  0
M  CHG  2   8  -1  10   1
M  END

$$$$
D00DBO
  -OEChem-10121502012D

 57 59  0     0  0  0  0  0  0999 V2000
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    2.8660   -1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.7572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    3.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    3.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.7572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9938    3.1286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7788    3.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    5.5293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6079    4.7804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3799    3.7714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4816    6.0337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5162    5.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5200    0.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
  2 16  2  0  0  0  0
  3 21  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  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
  6 16  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  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 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
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  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
 11 35  1  0  0  0  0
 12 15  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
 13 38  1  0  0  0  0
 13 39  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 17  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  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
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  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 25  1  0  0  0  0
 23 54  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 56  1  0  0  0  0
 26 27  1  0  0  0  0
 26 57  1  0  0  0  0
M  END

$$$$
D00DFP
  -OEChem-04152111342D

 66 71  0     1  0  0  0  0  0999 V2000
    4.0000   -0.0078    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0633    4.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9119    0.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0479    0.8052    0.0000 C   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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  2 66  1  0  0  0  0
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  9 12  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 38  1  1  0  0  0
 11 16  1  0  0  0  0
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 11 39  1  6  0  0  0
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 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
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 16 49  1  0  0  0  0
 17 19  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 20  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 26  2  0  0  0  0
 22 52  1  0  0  0  0
 23 30  1  0  0  0  0
 23 53  1  0  0  0  0
 24 31  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 55  1  0  0  0  0
 28 33  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 34  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 35  2  0  0  0  0
 31 35  1  0  0  0  0
 31 65  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  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 36  1  0  0  0  0
M  END

$$$$
D00DIM
          10010800192D 1   1.00000     0.00000     0

 47 51  0     1  0            999 V2000
    0.6542    0.1083    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6542    0.8125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0417   -0.2500    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5625    0.1083    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2750   -0.9542    0.0000 C   0  0  2  0  0  0           0  0  0
    0.0417    1.1708    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5625    0.8125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9167   -1.5750    0.0000 C   0  0  1  0  0  0           0  0  0
    4.4625   -2.8000    0.0000 C   0  0  2  0  0  0           0  0  0
    1.2750   -0.2417    0.0000 O   0  0  0  0  0  0           0  0  0
    1.2750   -2.1792    0.0000 C   0  0  2  0  0  0           0  0  0
    5.1667   -2.8000    0.0000 C   0  0  1  0  0  0           0  0  0
    1.9792   -0.9542    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1042   -2.1875    0.0000 C   0  0  1  0  0  0           0  0  0
    1.9792   -2.1792    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.1750   -0.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4625   -1.5792    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3292   -1.5750    0.0000 C   0  0  1  0  0  0           0  0  0
    5.5250   -2.1917    0.0000 C   0  0  2  0  0  0           0  0  0
    1.2667    1.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1667   -1.5792    0.0000 C   0  0  2  0  0  0           0  0  0
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   -1.7833    0.1083    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2667    1.8708    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8792    2.2333    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.0417   -0.9542    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7833    0.8208    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0417   -1.5750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5000    1.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8875    0.8125    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5000    1.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2042   -1.5750    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1042   -3.4167    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9167   -2.8000    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5250   -3.4167    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1708   -0.9542    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3375   -2.7917    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2292   -2.1917    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8792    2.9375    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1125    2.2333    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4000    1.1708    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5250   -0.9667    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2375    0.8208    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.6250    1.1708    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0125    0.8208    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6542   -0.6042    0.0000 H   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 10  1  0     0  0
  6  2  1  0     0  0
  7  4  2  0     0  0
  8  5  1  0     0  0
  9 14  1  0     0  0
 10  1  1  0     0  0
 11  8  1  0     0  0
 12  9  1  0     0  0
 13  5  1  0     0  0
 14 26  1  6     0  0
 15 18  1  0     0  0
 16  4  1  0     0  0
 17 14  1  0     0  0
 18 13  1  0     0  0
 19 21  1  0     0  0
 20  2  1  0     0  0
 21 17  1  0     0  0
 22  7  1  0     0  0
 23 16  2  0     0  0
 24 20  1  0     0  0
 25 24  2  0     0  0
 26 29  1  0     0  0
 27  3  2  0     0  0
 28 22  2  0     0  0
 18 29  1  6     0  0
 30 32  2  0     0  0
 31 20  2  0     0  0
 32 31  1  0     0  0
  8 33  1  1     0  0
  9 34  1  1     0  0
 11 35  1  6     0  0
 12 36  1  1     0  0
 37 16  1  0     0  0
 15 38  1  1     0  0
 19 39  1  6     0  0
 40 25  1  0     0  0
 41 30  1  0     0  0
 42 28  1  0     0  0
 21 43  1  1     0  0
 44 45  1  0     0  0
 45 46  1  0     0  0
 46 42  1  0     0  0
  5 47  1  1     0  0
  6  7  1  0     0  0
 11 15  1  0     0  0
 28 23  1  0     0  0
 25 30  1  0     0  0
 12 19  1  0     0  0
M  END

$$$$
D00DPP
  -OEChem-02041520482D

 35 32  0     1  0  0  0  0  0999 V2000
    6.2560    0.6235    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    3.2566    1.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3550    0.1896    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6722    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4785    1.5984    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2889    3.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7762    8.4367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.5283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7762    7.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9672    6.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5852    6.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2762    5.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762    5.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2316    1.5984    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8550    2.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541    0.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    2.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3410    5.2812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9930    2.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 14  1  0  0  0  0
  2 32  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  2  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  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 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 11  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
 11 12  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 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  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 17  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  CHG  3   1   2   3  -1   5  -1
M  END

$$$$
D00DRL
  -OEChem-10191521152D

 60 64  0     1  0  0  0  0  0999 V2000
    6.5572   -0.4311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2662   -1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8956   -1.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5139   -0.7221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0096    1.6789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7427   -1.4080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0126    0.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    0.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8956   -0.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0191    1.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3956    2.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5491   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3956    2.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5468   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2772   -0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7786    0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2591   -0.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1540   -1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7351   -1.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1266    2.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4041   -0.9413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6646    2.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6113   -2.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8115   -0.9160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  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
M  END

$$$$
D00DYK
          01291101272D 1   1.00000     0.00000     0

 34 36  0     1  0            999 V2000
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   -2.1359    1.6003    0.0000 C   0  0  2  0  0  0           0  0  0
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   -3.4750    3.9191    0.0000 C   0  0  0  0  0  0           0  0  0
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 11 15  1  0     0  0
 13 16  1  0     0  0
 15 17  2  0     0  0
 16 18  2  0     0  0
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 18 21  1  0     0  0
 19 22  1  0     0  0
 19 23  2  0     0  0
 20 24  1  0     0  0
 21 25  1  0     0  0
 21 26  2  0     0  0
 21 27  2  0     0  0
 22 28  1  0     0  0
 22 29  1  1     0  0
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 25 31  1  0     0  0
 25 32  1  0     0  0
 25 33  1  0     0  0
  7  8  1  0     0  0
 10 12  1  0     0  0
 24 28  1  0     0  0
  2 34  1  6     0  0
M  END

$$$$
D00EFT
  -OEChem-10101305022D

 22 21  0     1  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  1 22  1  0  0  0  0
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  8 17  1  0  0  0  0
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  8 19  1  0  0  0  0
M  END

$$$$
D00EHX
          10150800062D 1   1.00000     0.00000     0

 29 30  0     0  0            999 V2000
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 10 13  1  0     0  0
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 17 18  2  0     0  0
 18 13  1  0     0  0
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 20 21  1  0     0  0
 21 22  2  0     0  0
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 22 23  1  0     0  0
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 24 19  1  0     0  0
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 14 25  1  0     0  0
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 26 27  1  0     0  0
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 28 29  1  0     0  0
 11 12  1  0     0  0
M  END

$$$$
D00EPS
  -OEChem-10191521162D

 60 61  0     1  0  0  0  0  0999 V2000
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 10 44  1  0  0  0  0
 11 33  1  0  0  0  0
 11 58  1  0  0  0  0
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 13 15  1  0  0  0  0
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 13 34  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 14 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
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 27  2  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
 24 48  1  0  0  0  0
 25 29  2  0  0  0  0
 25 50  1  0  0  0  0
 26 29  1  0  0  0  0
 26 51  1  0  0  0  0
 27 31  1  0  0  0  0
 27 52  1  0  0  0  0
 28 32  2  0  0  0  0
 28 53  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END

$$$$
D00EPT
  -OEChem-10101305022D

 36 38  0     1  0  0  0  0  0999 V2000
    7.7221   -1.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881    0.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    1.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8561   -1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3561   -2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3561   -2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7221   -1.0374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9900   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9900   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7221   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2221   -1.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8561    0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1581    2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4340   -2.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6951    2.7135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6212    2.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  6  0  0  0
  1 29  1  0  0  0  0
  2 10  2  0  0  0  0
  3 17  1  0  0  0  0
  3 36  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
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  5 19  1  0  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 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  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 15  2  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  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 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
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D00ERV
  -OEChem-10101305022D

 75 76  0     1  0  0  0  0  0999 V2000
    6.3301   -2.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   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
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 20 23  1  0  0  0  0
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 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
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 25 26  2  0  0  0  0
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 26 30  1  0  0  0  0
 26 58  1  0  0  0  0
 27 32  2  0  0  0  0
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 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 33  2  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 33  1  0  0  0  0
 32 66  1  0  0  0  0
 34 70  1  0  0  0  0
 34 71  1  0  0  0  0
 34 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
M  END

$$$$
D00EVP
          05171100322D 1   1.00000     0.00000     0

 33 35  0     1  0            999 V2000
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    2.8016   -0.5034    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0208   -1.1834    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.3195   -0.2967    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7447   -0.8648    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3358   -1.4448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3422   -1.2351    0.0000 N   0  0  3  0  0  0           0  0  0
    0.3522   -0.5256    0.0000 C   0  0  1  0  0  0           0  0  0
    0.9625   -0.1667    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.5642   -2.1153    0.0000 O   0  0  0  0  0  0           0  0  0
 14 16  1  0     0  0
  4  5  2  0     0  0
 16 17  1  0     0  0
  7  8  1  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 17 19  1  0     0  0
  9 10  1  0     0  0
  9 20  1  0     0  0
 10  6  1  0     0  0
 20 21  2  0     0  0
  5  1  1  0     0  0
 21 22  1  0     0  0
 10 11  1  6     0  0
 22 23  2  0     0  0
  6  7  1  0     0  0
 23 24  1  0     0  0
 11 12  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
  2  3  2  0     0  0
 23 26  1  0     0  0
 12 13  1  0     0  0
 26 27  1  6     0  0
 13  2  1  0     0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
  5 14  1  0     0  0
 29 30  1  0     0  0
  1  2  1  0     0  0
 30 31  1  0     0  0
 14 15  2  0     0  0
 31 32  1  0     0  0
  3  4  1  0     0  0
  8 33  2  0     0  0
M  END

$$$$
D00EWR
  -OEChem-10101305022D

 30 32  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5052    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2902   -0.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423   -2.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7211   -1.0689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0301   -2.0199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.4811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3961    0.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.0189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3391   -1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -2.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082   -0.5637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    0.1266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.6389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1147   -1.1978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3946   -2.5215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    2.1736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    1.3518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    2.8289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.8289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  4 15  2  0  0  0  0
  5 17  2  0  0  0  0
  9  6  1  6  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 15  1  0  0  0  0
  7 25  1  0  0  0  0
  8 17  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 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  6  0  0  0
 12 23  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 26  1  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
 20 28  1  0  0  0  0
M  END

$$$$
D00EZO
  MDL     03120710462D 1   1.00000     0.00000     0

 15 17  0     0  0            999 V2000
    5.9583    1.2542    0.0000 N   0  0  3  0  0  0           0  0  0
    6.8875    1.9292    0.0000 C   0  0  3  0  0  0           0  0  0
    6.6667    1.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0958    2.6042    0.0000 N   0  0  0  0  0  0           0  0  0
    5.7417    1.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3458    0.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3125    2.3458    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1125    0.8875    0.0000 N   0  0  0  0  0  0           0  0  0
    4.7250    1.2458    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8042    2.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1167    0.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4667    1.5208    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3542    0.1833    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0333    1.9458    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7417   -0.1792    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  5  1  0     0  0
  8  9  1  0     0  0
  9  6  2  0     0  0
 10  4  1  0     0  0
 11 15  1  0     0  0
 12  2  1  0     0  0
 13  6  1  0     0  0
 14 12  1  0     0  0
 15 13  2  0     0  0
  7  2  1  0     0  0
 10 14  1  0     0  0
 11  8  2  0     0  0
M  END

$$$$
D00FHR
  -OEChem-10191522572D

 50 53  0     0  0  0  0  0  0999 V2000
   11.5263   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 N   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
    5.4641    0.5000    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
   14.1244    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 N   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
    8.0622    1.0000    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
    8.9282   -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  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0000    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
   11.5263   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.0000    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
   14.1244   -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
   13.2583   -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
   14.9904   -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
   14.1244   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -2.0000    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    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
    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
    8.4607    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7214   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1200    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
    4.2690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5874    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
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  1 15  2  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  2 37  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 38  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  2  0  0  0  0
  5 17  2  0  0  0  0
  5 26  1  0  0  0  0
  6 18  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7 28  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 18 22  2  0  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 39  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  2  0  0  0  0
 22 25  1  0  0  0  0
 22 40  1  0  0  0  0
 23 26  2  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
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D00GAM
  -OEChem-02061504192D

530571  0     1  0  0  0  0  0999 V2000
   16.4184  -16.5749    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.0454   19.5228    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6358  -14.5507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6019   13.4540    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.4800  -20.0267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   35.0058   10.1725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.8718  -18.9463    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   38.6739    8.1402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.1803  -16.5797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   39.6180    4.0544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.2323  -13.3861    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   37.6005   -0.6961    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   36.3386  -11.7725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   39.6083   -4.2339    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   38.9625   -9.3544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.3678  -15.5761    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   29.0467   19.4722    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.3284  -13.5991    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   31.6241   13.6636    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   21.6896  -19.0489    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   34.1958    9.5861    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   26.4582  -19.7563    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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   31.8337   14.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3690  -15.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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327329  1  0  0  0  0
327522  1  0  0  0  0
328524  1  0  0  0  0
M  END

$$$$
D00GEG
  -OEChem-10101305032D

 41 42  0     1  0  0  0  0  0999 V2000
    2.0000   -3.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    5.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5950    0.0000 C   0  0  1  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
    4.5981    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5950    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
    4.5981   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3860    2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  1  0  0  0
  4 26  1  0  0  0  0
  5 15  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  8  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 15  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 27  1  0  0  0  0
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  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
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 13 32  1  0  0  0  0
 14 33  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
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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

$$$$
D00GPQ
  -OEChem-10191523072D

 76 78  0     1  0  0  0  0  0999 V2000
   14.2310    0.0387    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0127    3.0975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3729    1.4801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6166    1.5733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6166    2.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4826    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4826    3.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3486    1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3486    2.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2426    3.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0185    3.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1486    1.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1486    2.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0185    4.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6166    0.9533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0841    3.5483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7506    0.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4215    1.8833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3470   -2.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4951    2.4657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 33  2  0  0  0  0
 25 34  2  0  0  0  0
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 30 62  1  0  0  0  0
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 33 34  1  0  0  0  0
 33 73  1  0  0  0  0
 35 74  1  0  0  0  0
 35 75  1  0  0  0  0
 35 76  1  0  0  0  0
M  END

$$$$
D00GXL
  -OEChem-08301509462D

 29 30  0     0  0  0  0  0  0999 V2000
    3.7320    2.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.3450    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
  2 16  1  0  0  0  0
  3 12  1  0  0  0  0
  3 29  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  7  2  0  0  0  0
  5  9  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 10  1  0  0  0  0
  8  9  2  0  0  0  0
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  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  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
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D00GZW
  -OEChem-10101305022D

 35 34  0     1  0  0  0  0  0999 V2000
    8.9282    0.5000    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
    7.1962    0.5000    0.0000 C   0  0  1  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
    5.4641    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    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   -1.0000    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
    2.8660    1.0000    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
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.1900    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 35  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  6  0  0  0
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  3 10  1  0  0  0  0
  3 14  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  7  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
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  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
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  8 11  1  0  0  0  0
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 11 13  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
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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
M  END

$$$$
D00GZY
  -OEChem-10101305022D

114113  0     1  0  0  0  0  0999 V2000
   12.2711   12.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3730   13.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3945   16.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    2.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 54112  1  0  0  0  0
 54113  1  0  0  0  0
M  END

$$$$
D00HAP
  -OEChem-10101305032D

 53 55  0     1  0  0  0  0  0999 V2000
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 28 53  1  0  0  0  0
M  END

$$$$
D00HBE
  -OEChem-04152111292D

 57 62  0     1  0  0  0  0  0999 V2000
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    8.0819    2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8024    3.1066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6693    2.6081    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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 10 22  1  0  0  0  0
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 13 31  2  0  0  0  0
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 14 36  1  6  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  6  0  0  0
 16 37  1  0  0  0  0
 17 20  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  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 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 25  2  0  0  0  0
 21 27  1  6  0  0  0
 21 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 46  1  0  0  0  0
 26 29  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 29  2  0  0  0  0
 28 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  1  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  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

$$$$
D00HBR
          04011000432D 1   1.00000     0.00000     0

 26 31  0     1  0            999 V2000
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    6.1982    1.2810    0.0000 C   0  0  0  0  0  0           0  0  0
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  1  7  2  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3 17  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  4 22  1  0     0  0
  5  7  1  0     0  0
  5  8  1  0     0  0
  6 20  1  0     0  0
  6  7  1  0     0  0
  8 21  1  1     0  0
  8 13  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  9 18  1  1     0  0
  9 22  1  0     0  0
 10 11  1  0     0  0
 10 23  1  1     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  1     0  0
 13 20  1  0     0  0
 20 15  1  1     0  0
 15 16  1  0     0  0
 15 19  1  0     0  0
 16 24  1  0     0  0
 19 21  1  0     0  0
 24 25  1  0     0  0
 24 26  1  0     0  0
 25 26  1  0     0  0
M  END

$$$$
D00HGF
  -OEChem-04152108432D

 18 17  0     1  0  0  0  0  0999 V2000
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  5  1  1  1  0  0  0
  1 15  1  0  0  0  0
  6  2  1  6  0  0  0
  2 16  1  0  0  0  0
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  3 17  1  0  0  0  0
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  6 10  1  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END

$$$$
D00HTO
  -OEChem-02041520412D

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 37 77  1  0  0  0  0
M  END

$$$$
D00HTY
  -OEChem-10191521152D

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M  END

$$$$
D00HUZ
  -OEChem-02041521102D

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   11.1790    2.9058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4932    2.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3118    2.4015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1501   -2.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0205   -3.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6910   -3.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1392   -2.9742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5919   -4.5456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3 15  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
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  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
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 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
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 13 43  1  0  0  0  0
 14 17  1  0  0  0  0
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 16 18  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 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 21  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
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 19 51  1  0  0  0  0
 20 26  1  0  0  0  0
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 21 57  1  0  0  0  0
 22 24  1  0  0  0  0
 22 28  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 29  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 26  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 27  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 64  1  0  0  0  0
 27 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 81  1  0  0  0  0
 29 82  1  0  0  0  0
 29 83  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
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  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
M  CHG  5   1   4   2  -1   3  -1   6  -1   7  -1
M  END

$$$$
D00HYK
          04020800062D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
    2.3042   -3.1542    0.0000 N   0  0  3  0  0  0           0  0  0
    3.0186   -2.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5897   -2.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0186   -1.9167    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7331   -3.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4476   -2.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1621   -3.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1597   -3.9802    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5862   -3.1508    0.0000 N   0  0  0  0  0  0           0  0  0
    5.8719   -2.7422    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3042   -3.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5888   -3.9801    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8729   -4.3897    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8698   -5.2100    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5808   -5.6268    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2966   -5.2172    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3015   -4.3907    0.0000 N   0  0  0  0  0  0           0  0  0
    8.0091   -5.6331    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8752   -3.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1200   -2.8229    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7874   -3.9789    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0195   -4.1505    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4286   -3.4344    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2514   -3.4316    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6662   -4.1441    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2521   -4.8610    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4306   -4.8603    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4001   -4.5313    0.0000 C   0  0  0  0  0  0           0  0  0
  2  4  2  0     0  0
  7  8  2  0     0  0
  8 13  1  0     0  0
 12 17  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
 16 18  2  0     0  0
 12  9  1  0     0  0
  3 19  1  0     0  0
 19 20  1  0     0  0
  2  5  1  0     0  0
  9 10  2  0     0  0
 20 23  1  0     0  0
 22 21  1  0     0  0
 21 19  2  0     0  0
 10  7  1  0     0  0
  1  3  1  0     0  0
 22 23  2  0     0  0
  1 11  1  0     0  0
 23 24  1  0     0  0
 12 13  2  0     0  0
 24 25  2  0     0  0
  5  6  2  0     0  0
 25 26  1  0     0  0
  1  2  1  0     0  0
 26 27  2  0     0  0
 27 22  1  0     0  0
  6  7  1  0     0  0
 21 28  1  0     0  0
M  END

$$$$
D00ICD
          05051000172D 1   1.00000     0.00000     0

 72 77  0     1  0            999 V2000
    0.7042    1.5083    0.0000 C   0  0  1  0  0  0           0  0  0
    0.6899    0.5454    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.4180    0.5619    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9591    1.5280    0.0000 O   0  0  0  0  0  0           0  0  0
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   -0.8641    2.5216    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4225    1.0288    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.1344    1.0357    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.4059    1.5190    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.1227    1.9965    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.3095    2.5195    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9782   -0.3995    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.0862   -0.3915    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.6305    0.5747    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2418    1.0446    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5373    1.5780    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9692    0.5618    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.2493    0.0818    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.8062    0.0886    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.0772    0.5699    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.7972    1.0452    0.0000 C   0  0  1  0  0  0           0  0  0
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   -2.6417   -0.3917    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.6509   -1.3536    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.7081   -0.3709    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.6975   -1.3379    0.0000 C   0  0  1  0  0  0           0  0  0
    2.1406   -1.3268    0.0000 C   0  0  2  0  0  0           0  0  0
    1.8733   -0.8435    0.0000 C   0  0  1  0  0  0           0  0  0
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    1.9640    0.1549    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.2623   -0.7887    0.0000 O   0  0  0  0  0  0           0  0  0
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  9 10  1  0     0  0
 17 35  1  6     0  0
 10 11  1  1     0  0
  1 36  1  0     0  0
 16 22  1  0     0  0
  1 37  1  1     0  0
 21 15  1  0     0  0
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 17  3  1  0     0  0
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 36 48  1  0     0  0
 47 42  1  0     0  0
 42 43  1  0     0  0
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 45 40  1  1     0  0
 46 41  1  6     0  0
 23 13  1  0     0  0
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 10  5  1  0     0  0
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 53 59  1  0     0  0
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 54 55  1  0     0  0
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 58 59  1  1     0  0
 54 40  1  0     0  0
 55 49  1  6     0  0
 56 50  1  1     0  0
 57 51  1  6     0  0
 60 50  1  0     0  0
  7  8  1  0     0  0
 28 33  1  0     0  0
 32 27  1  0     0  0
 27 23  1  0     0  0
 23 29  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  1     0  0
 29 24  1  6     0  0
 30 25  1  1     0  0
 65 70  1  0     0  0
 69 64  1  0     0  0
 64 60  1  0     0  0
 60 66  1  0     0  0
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 68 63  1  6     0  0
 31 26  1  6     0  0
 60 71  1  6     0  0
  8  9  1  0     0  0
 54 72  1  6     0  0
 23 34  1  6     0  0
M  END

$$$$
D00IFR
  -OEChem-10111523152D

 48 51  0     1  0  0  0  0  0999 V2000
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    3.0778    0.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099   -3.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6166   -1.3384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6634    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    2.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    1.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634   -1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5294   -0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -2.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 47  1  0  0  0  0
M  END

$$$$
D00IJM
          02091001052D 1   1.00000     0.00000     0

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 15 16  1  0     0  0
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 13 20  1  6     0  0
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 17 21  1  0     0  0
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 21 23  1  0     0  0
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 23 24  1  0     0  0
 11 12  1  0     0  0
 24 25  1  0     0  0
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  1 30  1  0     0  0
 14 15  1  0     0  0
  2 31  1  0     0  0
  1  2  2  0     0  0
  4 32  1  0     0  0
M  END

$$$$
D00IJQ
  -OEChem-04152110132D

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 30 32  1  0  0  0  0
 30 59  1  0  0  0  0
M  END

$$$$
D00IQH
  -OEChem-10191522582D

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    7.2475   -1.7447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7508   -0.2049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837    0.6668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9512    4.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7975    2.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2189    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8041    5.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1300    5.3133    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  9  1  0  0  0  0
  1 29  1  0  0  0  0
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  8 28  1  0  0  0  0
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  9 28  1  0  0  0  0
  9 57  1  0  0  0  0
 10 12  2  0  0  0  0
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 14 25  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 21  2  0  0  0  0
 15 38  1  0  0  0  0
 16 26  1  0  0  0  0
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 18 39  1  0  0  0  0
 19 23  2  0  0  0  0
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 20 24  1  0  0  0  0
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 21 27  1  0  0  0  0
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 25 48  1  0  0  0  0
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 26 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
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 33  1  0  0  0  0
 30 58  1  0  0  0  0
 31 34  2  0  0  0  0
 31 59  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 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
M  END

$$$$
D00ISN
  -OEChem-04152111352D

 58 57  0     0  0  0  0  0  0999 V2000
    5.8696    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    9.4766    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3312    8.4766    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3312    8.4766    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    3.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292    4.8426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    7.4766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    3.4766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    3.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    4.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    5.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292    3.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292    4.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    6.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    5.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    7.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    6.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4651    5.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    8.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4526    4.5843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    3.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6738    5.3689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2753    6.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0118    2.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5369    5.4532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8466    5.0547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    2.8566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3322    3.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    6.5017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    6.5017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    7.9516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4685    7.9516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    7.2866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6675    6.5017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    4.8566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    6.5017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7392    5.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    6.4397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8696    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 58  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 12  1  0  0  0  0
  5 53  1  0  0  0  0
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  6 54  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 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
 10 11  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
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 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 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  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 19  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
 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
 19 25  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 24  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 24  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
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  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

$$$$
D00IUD
  -OEChem-04152109232D

 48 51  0     0  0  0  0  0  0999 V2000
    3.7320    4.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    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
    4.5981   -1.0000    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
    4.5981   -0.0000    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    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
    2.8660    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
    4.5981   -3.0000    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
    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
    4.5981   -4.0000    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
    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
    7.1962    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
    4.5981    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5000    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 27  1  0  0  0  0
  2 22  1  0  0  0  0
  2 29  1  0  0  0  0
  3 12  2  0  0  0  0
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 14 33  1  0  0  0  0
 15 21  2  0  0  0  0
 15 34  1  0  0  0  0
 16 23  1  0  0  0  0
 16 35  1  0  0  0  0
 17 24  2  0  0  0  0
 17 36  1  0  0  0  0
 18 25  1  0  0  0  0
 18 37  1  0  0  0  0
 19 26  2  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
 21 40  1  0  0  0  0
 23 27  2  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  2  0  0  0  0
 25 43  1  0  0  0  0
 26 28  1  0  0  0  0
 26 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D00IVF
  -OEChem-03141904532D

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111221  1  0  0  0  0
M  END

$$$$
D00IWL
  -OEChem-04152111282D

 41 40  0     0  0  0  0  0  0999 V2000
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    0.5369    2.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2331    1.6709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331    3.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    7.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
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 10 16  2  0  0  0  0
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 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D00IXN
  -OEChem-04152110582D

 20 20  0     0  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
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  8 18  1  0  0  0  0
M  END

$$$$
D00IYB
  -OEChem-04152110442D

236238  0     1  0  0  0  0  0999 V2000
   21.0558    2.3289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.2215    1.7198    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00JDJ
  -OEChem-03141904462D

 47 50  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00JED
          06060800392D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
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 12 10  1  0     0  0
  2  3  1  0     0  0
 10 11  2  0     0  0
 11  8  1  0     0  0
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  5  6  2  0     0  0
  6  1  1  0     0  0
  1  2  2  0     0  0
  4  7  1  0     0  0
  3  4  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
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 16 12  1  0     0  0
  7  8  1  0     0  0
  1 17  1  0     0  0
 17 18  3  0     0  0
  8  9  2  0     0  0
  2 19  1  0     0  0
  9 13  1  0     0  0
 19 20  3  0     0  0
  4  5  1  0     0  0
 16 21  1  0     0  0
M  END

$$$$
D00JFE
  -OEChem-04152121572D

 52 55  0     0  0  0  0  0  0999 V2000
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 30 50  1  0  0  0  0
 31 32  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
D00JJG
  -OEChem-04152110562D

116116  0     1  0  0  0  0  0999 V2000
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 59107  1  0  0  0  0
 60111  1  0  0  0  0
 60112  1  0  0  0  0
 60113  1  0  0  0  0
M  END

$$$$
D00JJW
  -OEChem-04152122262D

 31 33  0     0  0  0  0  0  0999 V2000
    3.4030   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 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
 17 30  1  0  0  0  0
M  END

$$$$
D00JQE
          05191100072D 1   1.00000     0.00000     0

 36 40  0     1  0            999 V2000
   -4.3264   -1.5749    0.0000 C   0  0  0  0  0  0           0  0  0
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 16 17  1  0     0  0
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 11 12  1  0     0  0
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 28  4  1  0     0  0
 18 19  1  0     0  0
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 19 20  1  0     0  0
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 10 19  2  0     0  0
 22 23  1  0     0  0
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 18 11  2  0     0  0
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 11  8  1  0     0  0
 21 26  1  0     0  0
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 21 27  1  0     0  0
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 29 30  1  0     0  0
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 13 14  1  0     0  0
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 14 15  1  0     0  0
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 33 29  1  0     0  0
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 15 16  1  0     0  0
  6 35  1  0     0  0
  1  2  2  0     0  0
  6 36  1  0     0  0
M  END

$$$$
D00JRD
  -OEChem-02041520502D

 68 68  0     1  0  0  0  0  0999 V2000
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   11.4344   -1.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00KIE
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M  END

$$$$
D00KTV
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 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  END

$$$$
D00KVX
  -OEChem-04152122302D

 49 52  0     0  0  0  0  0  0999 V2000
    2.8660    0.1970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.6970    0.0000 O   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  7  1  0  0  0  0
  1 25  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 38  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 41  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END

$$$$
D00KXO
  -OEChem-03141904502D

 84 84  0     1  0  0  0  0  0999 V2000
   11.1972    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3933    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2594    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6613    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27  7  1  1  0  0  0
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 28  8  1  1  0  0  0
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 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
M  END

$$$$
D00LGR
  -OEChem-03141904452D

 65 68  0     0  0  0  0  0  0999 V2000
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  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
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  5 12  1  0  0  0  0
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  9 25  1  0  0  0  0
  9 29  1  0  0  0  0
  9 55  1  0  0  0  0
 10 26  1  0  0  0  0
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 21 51  1  0  0  0  0
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 27 30  1  0  0  0  0
 27 54  1  0  0  0  0
 28 33  1  0  0  0  0
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 29 34  1  0  0  0  0
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 30 57  1  0  0  0  0
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 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
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 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 35  2  0  0  0  0
 35 65  1  0  0  0  0
M  END

$$$$
D00LHF
          04270701002D 1   1.00000     0.00000     0

 36 38  0     0  0            999 V2000
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    6.4151   -9.5689    0.0000 N   0  0  0  0  0  0           0  0  0
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    7.4731  -10.1875    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.1957   -8.9518    0.0000 O   0  0  0  0  0  0           0  0  0
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    9.2648   -8.3372    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.0014  -10.8616    0.0000 C   0  0  0  0  0  0           0  0  0
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  1  5  1  0     0  0
 17 19  1  0     0  0
  8 10  2  0     0  0
 19 20  1  0     0  0
  3  1  1  0     0  0
  8 11  1  0     0  0
  1  6  2  0     0  0
 11 12  1  0     0  0
  2  1  1  0     0  0
 12 13  1  0     0  0
  2  7  1  0     0  0
  5 14  1  0     0  0
  3  4  1  0     0  0
 14 15  1  0     0  0
  7  8  1  0     0  0
 14 16  1  6     0  0
 15 17  1  0     0  0
  7  9  1  6     0  0
 15 18  2  0     0  0
 26 27  2  0     0  0
 21 22  1  0     0  0
 27 28  1  0     0  0
 22 23  2  0     0  0
 28 29  2  0     0  0
 29 24  1  0     0  0
 23 25  1  0     0  0
 30  4  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 32  1  0     0  0
 30 31  1  0     0  0
 32 33  1  0     0  0
 34 33  1  0     0  0
 35 34  1  0     0  0
 33 35  1  0     0  0
 31 21  1  0     0  0
 24 21  1  0     0  0
 28 36  1  0     0  0
M  END

$$$$
D00LNW
  -OEChem-02031521072D

 42 44  0     0  0  0  0  0  0999 V2000
    2.0000   -5.1293    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3660   -3.7633    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8301   -5.4953    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7891   -1.0415    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 21  1  0  0  0  0
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 13 28  2  0  0  0  0
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 15 18  2  0  0  0  0
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 17 18  1  0  0  0  0
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 18 32  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 37  1  0  0  0  0
 28 29  1  0  0  0  0
 29 40  1  0  0  0  0
 30 31  2  0  0  0  0
 30 41  1  0  0  0  0
 31 42  1  0  0  0  0
M  END

$$$$
D00LOB
  -OEChem-10101305032D

 53 54  0     0  0  0  0  0  0999 V2000
    5.0981    5.2710    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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D00LSI
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D00LSW
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D00MAN
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  1 18  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  2  0  0  0  0
 12  4  1  6  0  0  0
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  5 20  1  0  0  0  0
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  7 11  1  0  0  0  0
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  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
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 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  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
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 15 39  1  0  0  0  0
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 16 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 26  2  0  0  0  0
 24 44  1  0  0  0  0
 25 28  2  0  0  0  0
 25 45  1  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
M  END

$$$$
D00MBY
          06110900332D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
   -2.4847    3.2458    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4859    2.3394    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7045    1.8890    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9171    2.3398    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9200    3.2495    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7063    3.7003    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1405    3.7064    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1312    1.8910    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1307    0.9896    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6486    2.3450    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.2716    1.8899    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.0523    2.3405    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.8380    1.8911    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.8363    0.9907    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.6153    0.5403    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.8348   -0.8067    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.0512   -0.3527    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.0561    0.5455    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.8320   -1.7109    0.0000 C   0  0  3  0  0  0           0  0  0
   -5.6117   -2.1675    0.0000 F   0  0  0  0  0  0           0  0  0
   -4.0452   -2.1627    0.0000 F   0  0  0  0  0  0           0  0  0
   -5.7046   -1.4834    0.0000 F   0  0  0  0  0  0           0  0  0
  4  8  1  0     0  0
 14 13  1  0     0  0
  4  5  1  0     0  0
  8  9  1  0     0  0
 14 15  2  0     0  0
  8 10  2  0     0  0
 15 16  1  0     0  0
  2  3  1  0     0  0
 16 17  2  0     0  0
  2 11  1  0     0  0
 17 18  1  0     0  0
  5  6  2  0     0  0
 18 19  2  0     0  0
 19 14  1  0     0  0
 11 12  1  0     0  0
  6  1  1  0     0  0
 12 13  1  0     0  0
 17 20  1  0     0  0
  1  2  2  0     0  0
 20 21  1  0     0  0
  5  7  1  0     0  0
 20 22  1  0     0  0
  3  4  2  0     0  0
 20 23  1  0     0  0
M  END

$$$$
D00MHP
  -OEChem-10121500072D

 46 49  0     0  0  0  0  0  0999 V2000
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    4.5981   -3.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    1.8877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    3.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6882    1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1300    3.7206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611   -3.9223    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 28  1  0  0  0  0
  2 46  1  0  0  0  0
  3 28  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 18  2  0  0  0  0
  8 13  2  0  0  0  0
  8 16  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 20  2  0  0  0  0
 11 13  1  0  0  0  0
 11 19  2  0  0  0  0
 12 17  1  0  0  0  0
 12 22  2  0  0  0  0
 13 31  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 21  2  0  0  0  0
 16 35  1  0  0  0  0
 17 25  2  0  0  0  0
 17 28  1  0  0  0  0
 18 23  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 24  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 26  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
 25 27  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  2  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END

$$$$
D00MLX
  -OEChem-04152110072D

114121  0     1  0  0  0  0  0999 V2000
   14.2072    2.2242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436    4.8368    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6383   18.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3701   13.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884   12.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205   10.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5163    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3883    0.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4393    4.7630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6671   14.6530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 65111  1  0  0  0  0
M  END

$$$$
D00MXN
  -OEChem-04152110352D

 70 76  0     1  0  0  0  0  0999 V2000
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 41 70  1  0  0  0  0
M  END

$$$$
D00MYW
  -OEChem-10111523172D

 49 52  0     1  0  0  0  0  0999 V2000
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 28 29  2  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D00MZK
  -OEChem-10121500432D

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 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
 31 33  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END

$$$$
D00NBJ
  -OEChem-03141904502D

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 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D00NNI
          06270900062D 1   1.00000     0.00000     0

 37 38  0     1  0            999 V2000
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   -1.2458   -0.7458    0.0000 C   0  0  0  0  0  0           0  0  0
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 17 18  1  0     0  0
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 10 11  2  0     0  0
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 21  4  1  0     0  0
 11 12  1  0     0  0
 22 23  2  0     0  0
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 23 24  1  0     0  0
 12 13  2  0     0  0
 24 25  2  0     0  0
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 25 26  1  0     0  0
 13 14  1  0     0  0
 26 27  2  0     0  0
 27 22  1  0     0  0
 13 22  1  0     0  0
  8  9  1  0     0  0
 25 28  1  0     0  0
 14 15  2  0     0  0
 24 29  1  0     0  0
 15 10  1  0     0  0
 29 30  1  0     0  0
  4  5  1  0     0  0
 30 31  1  0     0  0
  9 10  1  0     0  0
 30 32  1  0     0  0
  5 16  1  1     0  0
 28 33  1  0     0  0
  4 17  2  0     0  0
 28 34  2  0     0  0
  6  7  1  0     0  0
 33  3  1  0     0  0
  3  2  2  0     0  0
  3 35  1  0     0  0
 36 37  1  0     0  0
M  END

$$$$
D00NVM
  -OEChem-10101305032D

 47 50  0     1  0  0  0  0  0999 V2000
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   11.2414   -0.4429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1464   -2.3228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  6  0  0  0
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 11  7  1  1  0  0  0
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 22 24  1  0  0  0  0
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 24 26  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
M  END

$$$$
D00NVO
          01210517122D 1   1.00000     0.00000     0

 34 38  0     0  0            999 V2000
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 10  4  1  0     0  0
 11  8  1  0     0  0
 12 11  1  0     0  0
 13  7  1  0     0  0
 14 10  1  0     0  0
 15 21  2  0     0  0
 16 15  1  0     0  0
 17 13  1  0     0  0
 18  5  1  0     0  0
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 21 20  1  0     0  0
 22 19  2  0     0  0
 23 17  1  0     0  0
 24 26  1  0     0  0
 25  6  1  0     0  0
 26 27  1  0     0  0
 27  8  1  0     0  0
 28 23  1  0     0  0
 29 23  2  0     0  0
 30 18  2  0     0  0
 31 30  1  0     0  0
 32 29  1  0     0  0
 33 28  2  0     0  0
 34 32  2  0     0  0
  4  6  1  0     0  0
  7 24  1  0     0  0
 31 25  2  0     0  0
 22 15  1  0     0  0
 33 34  1  0     0  0
M  END

$$$$
D00NXM
  -OEChem-04152110362D

 33 34  0     1  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
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 12 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 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D00NYJ
  -OEChem-10121501432D

 51 55  0     1  0  0  0  0  0999 V2000
   10.6209   -2.9170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.0145   -1.5610    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727    2.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3644   -1.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1894   -2.9528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6556    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    2.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6325   -1.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5158   -0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2362   -1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0964   -1.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6750   -2.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1651   -3.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723    1.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6861    3.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9281    3.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    2.4859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    1.8044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4432    0.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    0.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2318   -1.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6628    0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0563   -0.1235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6402   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8432   -0.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2923   -2.2542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4107   -3.7413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 26  1  0  0  0  0
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  6 39  1  0  0  0  0
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  7 43  1  0  0  0  0
  8 18  1  0  0  0  0
  8 25  2  0  0  0  0
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 10 30  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
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 12 35  1  0  0  0  0
 14 17  2  0  0  0  0
 14 20  1  0  0  0  0
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 17 40  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
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 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 31 32  2  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END

$$$$
D00NZL
  -OEChem-10191523072D

 49 51  0     1  0  0  0  0  0999 V2000
    9.4651   -2.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    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
    9.4651    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.2500    0.0000 N   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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   10.3312    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 38  1  0  0  0  0
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 21 41  1  0  0  0  0
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 23 24  1  0  0  0  0
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 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

$$$$
D00OAU
  -OEChem-10101305032D

 61 65  0     1  0  0  0  0  0999 V2000
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 35 61  1  0  0  0  0
M  END

$$$$
D00OOZ
  -OEChem-04152109582D

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 50115  1  0  0  0  0
 50116  1  0  0  0  0
M  END

$$$$
D00OPX
  -OEChem-03141904532D

 66 67  0     0  0  0  0  0  0999 V2000
   14.1961   -2.2262    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1961   -3.2262    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1961   -2.2262    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.1961   -2.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    0.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    3.2296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    2.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    0.2738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5701    0.2391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    0.2496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0679    0.2429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1961    1.7396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1961    0.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3301   -0.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5701    2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6640    0.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6640    1.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9320    0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    0.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    2.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0602    2.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757   -0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243    3.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2330    2.3298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0061    3.1767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1592    2.9498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1961    1.1538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8161    1.7738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1961    2.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7195   -0.6186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1180   -1.3088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5773    2.9284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1283    2.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8023   -0.3704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9998    2.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -0.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2557   -0.7795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8780   -1.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956   -0.7747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4643    1.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    1.1838    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
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 31  1  0  0  0  0
  5 20  1  0  0  0  0
  5 25  1  0  0  0  0
  6 21  2  0  0  0  0
  7 26  1  0  0  0  0
 11 36  1  0  0  0  0
 11 40  1  0  0  0  0
 12 37  1  0  0  0  0
 12 41  1  0  0  0  0
 13 38  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 26  1  0  0  0  0
 15 22  1  0  0  0  0
 15 28  2  0  0  0  0
 16 28  1  0  0  0  0
 16 30  1  0  0  0  0
 16 53  1  0  0  0  0
 17 30  2  0  0  0  0
 17 33  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 54  1  0  0  0  0
 19 33  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 27  1  0  0  0  0
 26 49  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 29  1  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 31 39  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 34 37  1  0  0  0  0
 34 55  1  0  0  0  0
 35 36  2  0  0  0  0
 35 56  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
 39 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
 41 61  1  0  0  0  0
 41 62  1  0  0  0  0
 41 63  1  0  0  0  0
 42 64  1  0  0  0  0
 42 65  1  0  0  0  0
 42 66  1  0  0  0  0
M  CHG  4   2   1   3   1   8  -1   9  -1
M  END

$$$$
D00OTL
  -OEChem-10101305032D

 56 58  0     1  0  0  0  0  0999 V2000
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   11.5054   -1.7681    0.0000 O   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
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    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3433   -2.7712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9679   -0.3889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4127   -1.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -4.4750    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
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    6.0010    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 16  1  0  0  0  0
 14  2  1  1  0  0  0
  2 45  1  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  4 23  1  0  0  0  0
  4 25  1  0  0  0  0
  6  5  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  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
  8 12  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 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  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 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
 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
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  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 48  1  0  0  0  0
 20 22  2  0  0  0  0
 20 49  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  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
 25 56  1  0  0  0  0
M  END

$$$$
D00OTM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.858  -2.475   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -2.475   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.714  -2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.714  -1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.000  -0.825   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.714   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.714   1.238   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.858   1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.858   2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572   1.238   0.000  1.00  0.00           C  
HETATM   28 BR   UNL     1       2.858   0.000   0.000  1.00  0.00          Br  
HETATM   29  O   UNL     1      -1.215   2.447   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.940   1.451   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.357   2.034   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14   15                                            
CONECT   14   13   10   18                                            
CONECT   15   13   16                                                 
CONECT   16   15   17   29                                            
CONECT   17   16   18   30   31                                       
CONECT   18   17   14                                                 
CONECT   19   12   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   21                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00OVC
          06221100062D 1   1.00000     0.00000     0

 26 29  0     0  0            999 V2000
    7.2917    1.9500    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6500    2.5625    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5958    2.1042    0.0000 N   0  0  3  0  0  0           0  0  0
    8.3542    2.5708    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0458    0.9583    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1750    3.0958    0.0000 N   0  0  0  0  0  0           0  0  0
    8.7667    3.1458    0.0000 N   0  0  0  0  0  0           0  0  0
    6.6000    0.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0458    1.6625    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2917    0.6750    0.0000 N   0  0  3  0  0  0           0  0  0
    6.5292    2.8083    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7750    2.0000    0.0000 N   0  0  0  0  0  0           0  0  0
    9.4417    2.9333    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5958    1.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4458    2.2250    0.0000 O   0  0  0  0  0  0           0  0  0
    5.4250    0.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4458   -0.1750    0.0000 O   0  0  0  0  0  0           0  0  0
   10.0542    3.2833    0.0000 C   0  0  0  0  0  0           0  0  0
   10.6667    2.9333    0.0000 N   0  0  3  0  0  0           0  0  0
    5.4375    2.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4208   -0.1042    0.0000 Cl  0  0  0  0  0  0           0  0  0
    7.7333    0.1208    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8167    1.6708    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8125    0.9583    0.0000 C   0  0  0  0  0  0           0  0  0
   10.6667    2.2208    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2792    3.2833    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  2  1  0     0  0
  5  9  2  0     0  0
  6  2  1  0     0  0
  7  4  1  0     0  0
  8 10  1  0     0  0
  9  3  1  0     0  0
 10 14  1  0     0  0
 11  3  1  0     0  0
 12  4  2  0     0  0
 13  7  2  0     0  0
 14  1  1  0     0  0
 15 12  1  0     0  0
 16  5  1  0     0  0
 17  8  2  0     0  0
 18 13  1  0     0  0
 19 18  1  0     0  0
 20  9  1  0     0  0
 21 16  1  0     0  0
 22 10  1  0     0  0
 23 20  2  0     0  0
 24 16  2  0     0  0
 25 19  1  0     0  0
 26 19  1  0     0  0
 11  6  2  0     0  0
  8  5  1  0     0  0
 13 15  1  0     0  0
 24 23  1  0     0  0
M  END

$$$$
D00OYQ
  -OEChem-04152109432D

 64 66  0     1  0  0  0  0  0999 V2000
    9.6328    3.8522    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
   10.4988    4.3522    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7668    4.3522    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.9353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    3.5211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289    4.9353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147    2.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    2.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289    5.8014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8877    2.5552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1289    5.8014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1806    1.8481    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6636    6.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8979    2.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    6.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4347    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1497    7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1752    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1081    7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4387    0.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    4.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3360    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    4.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3487    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    3.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826    4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3487    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3487    3.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9789    5.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4888    3.1562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5796    1.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1334    6.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1426    7.0889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150    2.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    2.9194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1152    7.0889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1244    6.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164    0.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3743    0.2208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7334    7.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0436    8.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5322    0.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7358    1.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142    8.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244    7.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9456    0.2036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3189    4.3984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1658    5.2453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4684    5.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7744    3.7898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7744    4.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566    4.4865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1338    2.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4879    5.2134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501    1.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7472    1.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826    4.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8856    2.2969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8856    3.9169    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
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 50  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 51  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  6 56  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  7 57  1  0  0  0  0
  8 25  2  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  6  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  1  0  0  0
 11 15  1  0  0  0  0
 11 32  1  1  0  0  0
 12 16  1  0  0  0  0
 12 33  1  6  0  0  0
 13 17  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
 14 37  1  0  0  0  0
 15 19  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  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 19  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  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
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 25  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 26  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 28 63  1  0  0  0  0
 29 64  1  0  0  0  0
M  END

$$$$
D00PJJ
          02101100252D 1   1.00000     0.00000     0

 30 32  0     0  0            999 V2000
    7.0708    0.3792    0.0000 N   0  0  3  0  0  0           0  0  0
    3.3375    0.5125    0.0000 S   0  0  3  0  0  0           0  0  0
    7.0708   -0.7625    0.0000 N   0  0  0  0  0  0           0  0  0
    7.4875   -0.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4000    0.1583    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9500    0.1583    0.0000 N   0  0  0  0  0  0           0  0  0
    6.4000   -0.5458    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5625    0.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0667    1.0875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7875    0.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6750    1.4500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1792    0.1583    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6625    2.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2708    2.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6875    1.1333    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9792    1.1333    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5625    1.2208    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7875   -0.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1792   -0.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2875    1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8917    2.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7250    0.1583    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0458    2.5000    0.0000 Cl  0  0  0  0  0  0           0  0  0
    8.1958   -0.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9000    1.4583    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5000    2.5292    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.1083    0.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8833    0.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4958    0.1583    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2708    0.1583    0.0000 C   0  0  0  0  0  0           0  0  0
  2  6  1  0     0  0
  3  4  2  0     0  0
  4  1  1  0     0  0
  5  1  1  0     0  0
  6  8  1  0     0  0
  7  5  2  0     0  0
  8 12  1  0     0  0
  9  1  1  0     0  0
 10  5  1  0     0  0
 11  9  1  0     0  0
 12 10  2  0     0  0
 13 11  1  0     0  0
 14 13  2  0     0  0
 15  2  2  0     0  0
 16  2  2  0     0  0
 17  8  2  0     0  0
 18  7  1  0     0  0
 19 18  2  0     0  0
 20 11  2  0     0  0
 21 25  2  0     0  0
 22  2  1  0     0  0
 23 13  1  0     0  0
 24  4  1  0     0  0
 25 20  1  0     0  0
 26 21  1  0     0  0
 27 22  1  0     0  0
 28 29  1  0     0  0
 29 27  1  0     0  0
 30 28  1  0     0  0
  3  7  1  0     0  0
 19 12  1  0     0  0
 14 21  1  0     0  0
M  END

$$$$
D00POS
  -OEChem-04152111062D

 57 61  0     1  0  0  0  0  0999 V2000
    9.9939   -1.4162    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998   -0.3015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8925   -1.3777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.0838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355   -1.7901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1817    1.3885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    0.0838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1817   -0.2209    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8710   -1.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2247   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5819   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462   -0.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034   -2.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    0.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    1.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    1.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -2.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9779    2.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7700    1.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8759    3.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -3.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7780    2.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -1.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    0.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6192   -0.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 48  1  0  0  0  0
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 27 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
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D00QAR
  -OEChem-10101305032D

 41 43  0     1  0  0  0  0  0999 V2000
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 11  7  1  1  0  0  0
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 16 17  1  0  0  0  0
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 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D00QKI
  -OEChem-10191522572D

 52 54  0     1  0  0  0  0  0999 V2000
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 23 40  1  0  0  0  0
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 26 45  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 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END

$$$$
D00QNW
  -OEChem-10101305032D

 14 14  0     0  0  0  0  0  0999 V2000
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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
  3  8  2  0  0  0  0
  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

$$$$
D00QOF
  -OEChem-04152110262D

 51 53  0     0  0  0  0  0  0999 V2000
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  1 26  1  0  0  0  0
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 22 49  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END

$$$$
D00QVT
  MDL     03120710452D 1   1.00000     0.00000     0

 42 43  0     1  0            999 V2000
    0.7833  -13.0500    0.0000 N   0  0  3  0  0  0           0  0  0
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  2  6  1  0     0  0
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 13 12  1  0     0  0
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 15  1  1  0     0  0
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 29 15  2  0     0  0
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 34  1  1  0     0  0
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 38  6  1  0     0  0
 39 15  1  0     0  0
 40 37  1  0     0  0
 41 34  1  0     0  0
  6 42  1  1     0  0
 41 38  1  0     0  0
 22 23  1  0     0  0
M  END

$$$$
D00QWU
  -OEChem-04152111262D

 64 67  0     0  0  0  0  0  0999 V2000
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 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 26  1  0  0  0  0
 21 50  1  0  0  0  0
 22 27  2  0  0  0  0
 22 51  1  0  0  0  0
 23 28  1  0  0  0  0
 23 52  1  0  0  0  0
 24 28  2  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 29  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  2  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 30 58  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 59  1  0  0  0  0
 33 34  1  0  0  0  0
 33 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
M  END

$$$$
D00RJB
          01210517112D 1   1.00000     0.00000     0

 25 27  0     0  0            999 V2000
    7.8167   -2.2542    0.0000 N   0  0  3  0  0  0           0  0  0
    7.2042   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4375   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2042   -3.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4375   -3.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8167   -3.6750    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5917   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.8167   -1.5417    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.8875   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.2667   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6542   -1.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8167   -4.3792    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  1  0     0  0
  6  5  2  0     0  0
  7  2  1  0     0  0
  8  3  2  0     0  0
  9  1  1  0     0  0
 10 13  1  0     0  0
 11  7  1  0     0  0
 12 10  1  0     0  0
 13 17  1  0     0  0
 14 11  1  0     0  0
 15 23  1  0     0  0
 16 15  1  0     0  0
 17 22  2  0     0  0
 18 12  2  0     0  0
 19 21  1  0     0  0
 20 12  1  0     0  0
 21 14  2  0     0  0
 22 14  1  0     0  0
 23 20  2  0     0  0
 24 18  1  0     0  0
 25  6  1  0     0  0
  4  6  1  0     0  0
 13 19  2  0     0  0
 24 15  2  0     0  0
M  END

$$$$
D00RJE
          01210517102D 1   1.00000     0.00000     0

 24 27  0     0  0            999 V2000
    4.5375   -2.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1542   -2.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5375   -3.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7667   -2.7167    0.0000 N   0  0  0  0  0  0           0  0  0
    3.9250   -2.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9250   -3.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3792   -2.3625    0.0000 C   0  0  3  0  0  0           0  0  0
    6.9917   -1.3000    0.0000 N   0  0  3  0  0  0           0  0  0
    3.3042   -2.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3042   -3.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3792   -1.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3792   -3.7750    0.0000 C   0  0  3  0  0  0           0  0  0
    5.1542   -3.7750    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7375   -4.3792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0875   -3.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1542   -1.6542    0.0000 O   0  0  0  0  0  0           0  0  0
    6.9917   -2.7167    0.0000 C   0  0  3  0  0  0           0  0  0
    7.3500   -2.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6042   -2.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6042   -1.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6500   -1.9125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7667   -3.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6917   -3.7750    0.0000 N   0  0  0  0  0  0           0  0  0
    2.6917   -2.3625    0.0000 Cl  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  1  2  0     0  0
  6  3  2  0     0  0
  7  4  1  0     0  0
  8 11  1  0     0  0
  9  5  1  0     0  0
 10  9  2  0     0  0
 11  7  1  0     0  0
 12 22  1  0     0  0
 13  3  1  0     0  0
 14 12  1  0     0  0
 15 12  1  0     0  0
 16  2  2  0     0  0
 17  7  1  0     0  0
 18 17  1  0     0  0
 19 17  1  0     0  0
 20 19  1  0     0  0
 21 18  1  0     0  0
 22 13  1  0     0  0
 23 10  1  0     0  0
 24  9  1  0     0  0
  6 10  1  0     0  0
 14 15  1  0     0  0
  8 20  1  0     0  0
  8 21  1  0     0  0
M  END

$$$$
D00RMC
  -OEChem-10191522582D

 46 49  0     0  0  0  0  0  0999 V2000
   10.6418   -3.0445    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3853   -2.0646    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -0.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    3.0445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.4891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8047   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7932   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6765   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6534   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5367   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5251   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101    3.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6540    0.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335    3.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    3.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900    2.4729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3979    2.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6837    0.5752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0772   -0.2510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  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 15  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  4 37  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  2  0  0  0  0
  6 16  2  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
  7 42  1  0  0  0  0
  8 18  1  0  0  0  0
  8 22  2  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 12  1  0  0  0  0
 10 28  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 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  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 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 19 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  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 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
M  END

$$$$
D00RNB
  -OEChem-04152111062D

 47 49  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
    5.4641    1.7500    0.0000 N   0  0  3  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
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    2.6160    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  3  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    1.7500    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    2.7500    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   -1.2500    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
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 12 37  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 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 39  1  0  0  0  0
 18 21  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 47  1  0  0  0  0
M  END

$$$$
D00RWQ
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    5.5301    1.0144    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0097    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6564   -1.5197    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2956   -0.1523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2890   -1.8805    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.9856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0301    1.8805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301    1.8805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0602   -1.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901    1.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7923   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829    1.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829   -1.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319    0.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3286   -0.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5315   -0.0366    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 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  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 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  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 20  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 30  1  0  0  0  0
 22 31  1  0  0  0  0
M  END

$$$$
D00RWW
          04150900562D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
   -0.5690   -1.0276    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2897   -0.6172    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.7379   -1.8379    0.0000 N   0  0  0  0  0  0           0  0  0
    0.1483   -0.6069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9034   -1.1793    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3862    0.2069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5552   -1.9241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1379    0.2207    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.7138   -1.0276    0.0000 N   0  3  0  0  0  0           0  0  0
    0.8517    0.6414    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2414   -1.6552    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.9828   -0.2552    0.0000 O   0  5  0  0  0  0           0  0  0
    1.5690    0.2310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8448    1.4655    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2862    0.6483    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5621    1.8793    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2793    1.4724    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9966    1.8862    0.0000 S   0  0  0  0  0  0           0  0  0
    3.7103    1.4793    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  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  8 10  1  0     0  0
  9 11  2  0     0  0
  9 12  1  0     0  0
 10 13  1  0     0  0
 10 14  2  0     0  0
 13 15  2  0     0  0
 14 16  1  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
  5  7  2  0     0  0
 16 17  2  0     0  0
M  CHG  2   9   1  12  -1
M  END

$$$$
D00RYA
  -OEChem-04152111152D

 64 68  0     0  0  0  0  0  0999 V2000
    4.6387   -0.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9018    0.3861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6803   -1.7869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0232   -2.7352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    1.6177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320    0.8861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0980   -0.6139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9640    0.8861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517    2.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270    1.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9423    3.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    0.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040    0.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6222   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6339    0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4999   -1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4999    0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7679    0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3777   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0980    0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9640   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9640   -2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7552   -2.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501   -1.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8892   -3.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5872   -2.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8301   -0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8301    0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0235    2.0401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4706    3.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749    3.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    3.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3854    2.8192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3157    0.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3670   -0.9239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.5242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3670    0.6961    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 19  1  0  0  0  0
  2 22  1  0  0  0  0
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  4 28  1  0  0  0  0
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  5  9  1  0  0  0  0
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  7 24  2  0  0  0  0
  8 23  2  0  0  0  0
  8 34  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 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 21  2  0  0  0  0
 17 47  1  0  0  0  0
 18 20  2  0  0  0  0
 18 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
 21 51  1  0  0  0  0
 22 27  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 29  2  0  0  0  0
 26 28  1  0  0  0  0
 26 30  2  0  0  0  0
 27 33  2  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 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 33  1  0  0  0  0
 31 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 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END

$$$$
D00SBD
          01080900082D 1   1.00000     0.00000     0

 28 30  0     0  0            999 V2000
    3.3000   -2.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9125   -3.2792    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.5292   -2.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2917   -2.2167    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.6875   -1.8625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0667   -2.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1292   -1.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7375   -0.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0667   -2.2167    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2375   -1.8542    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.3542   -1.8500    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.3833   -2.2042    0.0000 O   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
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 10  7  2  0     0  0
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 15  2  2  0     0  0
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 17  8  2  0     0  0
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 21  7  1  0     0  0
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 26 21  1  0     0  0
 27 24  1  0     0  0
 28 25  1  0     0  0
  3  4  2  0     0  0
 13  9  2  0     0  0
 12 16  1  0     0  0
M  END

$$$$
D00SFN
  SciTegic11301210262D

 20 21  0  0  0  0            999 V2000
   -2.6083   -0.8542    0.0000 C   0  0
    3.7375    0.9458    0.0000 C   0  0
   -2.0583    0.0333    0.0000 C   0  0
    2.6542    0.9333    0.0000 C   0  0
   -3.6708   -0.8542    0.0000 C   0  0
   -0.9958    0.0333    0.0000 O   0  0
   -2.1000   -1.8000    0.0000 C   0  0
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   -1.0625   -1.8000    0.0000 O   0  0
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   -0.4833    0.9458    0.0000 C   0  0
    0.5542    0.9458    0.0000 C   0  0
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   -4.2208   -1.7750    0.0000 O   0  0
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   -2.5833    0.9458    0.0000 C   0  0
   -4.1833    0.0583    0.0000 C   0  0
  2  4  1  0
  3  1  1  0
  4 10  2  0
  5  1  2  0
  6  3  1  0
  7  1  1  0
  8  2  2  0
  9  7  2  0
 10 16  1  0
 11 15  2  0
 12  2  1  0
 13  6  1  0
 14 13  1  0
 15 14  1  0
 16 14  2  0
 17  5  1  0
 18 20  2  0
 19  3  2  0
 20  5  1  0
 19 18  1  0
 11  4  1  0
M  END

$$$$
D00SFY
  -OEChem-04152111082D

 60 62  0     1  0  0  0  0  0999 V2000
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 15  3  1  1  0  0  0
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 11  4  1  1  0  0  0
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 13  6  1  6  0  0  0
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 29 30  1  0  0  0  0
 29 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

$$$$
D00SOZ
  -OEChem-04152111192D

 65 68  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00SSZ
          06151101222D 1   1.00000     0.00000     0

 31 32  0     1  0            999 V2000
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    2.8885   -0.4615    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  1     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  9  1  0     0  0
  7 10  1  0     0  0
  7 11  2  0     0  0
  8 12  1  0     0  0
  9 13  1  0     0  0
  9 14  1  6     0  0
 10 15  1  0     0  0
 10 16  1  6     0  0
 12 17  1  0     0  0
 13 18  1  0     0  0
 13 19  1  1     0  0
 14 20  1  0     0  0
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 15 22  1  0     0  0
 17 23  1  0     0  0
 18 24  1  0     0  0
 22 25  1  0     0  0
 22 26  2  0     0  0
 23 27  1  0     0  0
 24 28  1  0     0  0
 24 29  2  0     0  0
 25 30  1  0     0  0
 27 31  2  0     0  0
 28 30  1  0     0  0
 30 31  1  1     0  0
M  END

$$$$
D00SUK
  -OEChem-10121500392D

 62 65  0     0  0  0  0  0  0999 V2000
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 13 32  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 19 22  1  0  0  0  0
 19 45  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 51  1  0  0  0  0
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 28 30  1  0  0  0  0
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 28 56  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 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END

$$$$
D00SVP
  SciTegic12011114242D

 26 28  0  0  0  0            999 V2000
   16.2429  -21.4643    0.0000 O   0  0
   16.6593  -22.1804    0.0000 S   0  0
   17.0714  -21.4618    0.0000 O   0  0
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   15.2332  -19.7110    0.0000 C   0  0
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   14.5209  -22.5965    0.0000 C   0  0
   14.5204  -23.4203    0.0000 C   0  0
   15.2348  -23.8335    0.0000 C   0  0
   15.9512  -23.4170    0.0000 C   0  0
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   17.3763  -22.5911    0.0000 N   0  0
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   17.3690  -17.6436    0.0000 C   0  0
   17.4682  -23.4113    0.0000 C   0  0
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   18.6877  -22.8633    0.0000 C   0  0
   18.1326  -22.2513    0.0000 C   0  0
 13 14  1  0
  7  8  1  0
 14 15  2  0
 15 10  1  0
  6 10  1  0
  4  5  2  0
  9 16  1  0
 15  2  1  0
  8  9  2  0
  2 17  1  0
  9  4  1  0
 16 18  1  0
  3  2  2  0
 18 19  1  0
  5  6  1  0
 19 20  1  0
 10 11  2  0
 20 21  1  0
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 17 23  1  0
 11 12  1  0
  6  7  2  0
 12 13  2  0
  2  1  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 17  1  0
M  ENDM  END

$$$$
D00SWQ
  -OEChem-10101305022D

 44 46  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
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 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

$$$$
D00THA
  -OEChem-04152110462D

 56 56  0     0  0  0  0  0  0999 V2000
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  1 22  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
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  3 10  1  0  0  0  0
  4  5  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 27  1  0  0  0  0
  5 28  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 29  1  0  0  0  0
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  9 31  1  0  0  0  0
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 10 34  1  0  0  0  0
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 11 13  2  0  0  0  0
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 15 42  1  0  0  0  0
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 19 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
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 21 51  1  0  0  0  0
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 22 53  1  0  0  0  0
 23 24  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

$$$$
D00TIG
  -OEChem-10101305032D

145148  0     1  0  0  0  0  0999 V2000
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 74143  1  0  0  0  0
 74144  1  0  0  0  0
M  END

$$$$
D00TLM
  -OEChem-10101305032D

 49 52  0     0  0  0  0  0  0999 V2000
    2.0000    4.8529    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7404   -1.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3618   -4.8529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D00UDP
  -OEChem-10101305032D

 56 57  0     1  0  0  0  0  0999 V2000
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   11.8363   -3.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2163   -2.2131    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
  2 18  1  0  0  0  0
  2 24  1  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 26  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 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  6  0  0  0
  6 28  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 12  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
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  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 39  1  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 15 19  2  0  0  0  0
 15 41  1  0  0  0  0
 16 20  2  0  0  0  0
 16 42  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 19 21  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
 23 45  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
 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 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END

$$$$
D00UEC
  -OEChem-04152111202D

 45 47  0     0  0  0  0  0  0999 V2000
    3.7807    5.9655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8455    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    2.5204    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2320    0.6933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230   -0.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.3455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    1.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0009    3.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0064    3.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5887    4.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996    4.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1819    4.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1874    5.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3752    2.5917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5092    2.4545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    1.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2644    0.4130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1304    0.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9933    1.4161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3005   -1.1564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0818   -0.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6837    0.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.6555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9830    4.3078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5464    5.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.0355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
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  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
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 10 29  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 14  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 33  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
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  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 29  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
M  END

$$$$
D00UET
  -OEChem-04152111132D

 34 36  0     0  0  0  0  0  0999 V2000
    5.1350    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   -1.5346    0.0000 O   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
    9.5331   -0.0208    0.0000 N   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
    4.2690   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5000    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
    2.5369    1.0000    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
    6.8671    1.5000    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
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    7.7331   -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
    8.6270    1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5331    1.0208    0.0000 C   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
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    4.8796    0.1076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9264    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0688    1.3328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -0.3329    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 17  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 28  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  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 19  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  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  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 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D00ULY
  -OEChem-10101305032D

400402  0     1  0  0  0  0  0999 V2000
   11.1305    7.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1305    8.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8626   -6.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3267   -7.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7286   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4606  -10.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9247  -11.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0587  -15.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5228  -16.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1305    1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5946  -13.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3888  -19.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6568  -19.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3312   16.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5991   18.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0632   18.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6664    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4651   20.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7953   16.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1972   20.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671   16.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5273   19.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5324    6.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1350   15.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0587    9.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   17.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4651   14.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   16.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3267   11.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9247   11.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5946    9.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5946   12.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8626   11.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5946   -6.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4606   -8.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9965   -1.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1927  -10.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0587  -13.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7908  -15.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8626  -10.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7908   -9.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6568  -17.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0587   -4.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3985   -6.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3888  -13.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5946   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3312   17.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0587  -19.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4606  -14.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3985    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0632   17.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9965  -11.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5991   17.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00UVU
  -OEChem-04152111342D

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   16.0643   10.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2173   10.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  1  0  0  0
 18  1  1  1  0  0  0
  2 18  1  0  0  0  0
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 19  4  1  1  0  0  0
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 23  7  1  6  0  0  0
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 48109  1  0  0  0  0
 48110  1  0  0  0  0
 49 52  1  0  0  0  0
 49112  1  0  0  0  0
 49113  1  0  0  0  0
 50 53  1  0  0  0  0
 50114  1  0  0  0  0
 50115  1  0  0  0  0
 51116  1  0  0  0  0
 52 54  1  0  0  0  0
 52117  1  0  0  0  0
 52118  1  0  0  0  0
 53119  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
M  END

$$$$
D00UWY
  -OEChem-04152110162D

 58 57  0     0  0  0  0  0  0999 V2000
    3.7320   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.3100    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
    5.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.6900    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
   17.5885    1.1900    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
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3267   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7976   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    2.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    2.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210    2.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0123    0.1900    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   11.7723    0.1900    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1254    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8985    1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 21  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
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  3 23  1  0  0  0  0
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  4  6  1  0  0  0  0
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  7  9  1  0  0  0  0
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 12 16  2  0  0  0  0
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 16 17  1  0  0  0  0
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 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
M  ISO  2  47   2  48   2
M  END

$$$$
D00VNH
  -OEChem-10191523072D

 42 44  0     0  0  0  0  0  0999 V2000
    8.0727   -1.5050    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5396    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.9056    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.1736    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5627   -2.3652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5827   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0396    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  8  1  0  0  0  0
  1 10  2  0  0  0  0
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  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
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  7 42  1  0  0  0  0
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 11 14  1  0  0  0  0
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 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 20  1  0  0  0  0
 13 27  1  0  0  0  0
 13 40  1  0  0  0  0
 14 18  1  0  0  0  0
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 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 22  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
 17 20  2  0  0  0  0
 18 23  2  0  0  0  0
 18 26  1  0  0  0  0
 19 32  1  0  0  0  0
 20 23  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 27  1  0  0  0  0
M  END

$$$$
D00VQT
  -OEChem-04152111322D

 74 74  0     1  0  0  0  0  0999 V2000
    9.3087   -0.2389    0.0000 Tc  0  0  0  0  0  0  0  0  0  0  0  0
    9.4135   -1.2275    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    8.8080   -1.0976    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    8.3945   -0.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2897    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8644   -0.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6348   -2.9074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2846    0.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6245   -2.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8542    0.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    0.1662    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    8.6409    0.5054    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   12.4648   -1.2853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1202    1.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1424    1.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8849   -0.5754    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    0.1003    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3857   -1.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8361   -0.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8798   -0.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4597   -1.1842    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.6003    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0447   -1.9953    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.1003    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8696   -0.2721    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    1.6003    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0395   -1.8942    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.6003    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.4494   -0.9821    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    1.6003    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.4443   -0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7402    1.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860    1.7774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3350    1.9599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5764    1.6237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1094    0.0026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7653    0.7194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932   -2.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9515   -1.6883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2161   -0.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7701   -1.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2107   -1.8509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0970   -0.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.9103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4278   -2.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1237    0.2934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.2903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7854   -2.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7036   -0.4166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9974   -3.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3989   -1.4993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0454   -1.0331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    2.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5387    1.1044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2413   -2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4710    0.0938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  5 27  2  0  0  0  0
  6 28  2  0  0  0  0
  7 33  1  0  0  0  0
  7 37  1  0  0  0  0
  8 34  1  0  0  0  0
  8 38  1  0  0  0  0
  9 31  1  0  0  0  0
  9 63  1  0  0  0  0
 10 32  1  0  0  0  0
 10 64  1  0  0  0  0
 11 33  1  0  0  0  0
 11 69  1  0  0  0  0
 12 34  1  0  0  0  0
 12 70  1  0  0  0  0
 13 35  1  0  0  0  0
 13 71  1  0  0  0  0
 14 36  1  0  0  0  0
 14 72  1  0  0  0  0
 15 39  1  0  0  0  0
 15 73  1  0  0  0  0
 16 40  1  0  0  0  0
 16 74  1  0  0  0  0
 17 21  1  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 27  1  0  0  0  0
 19 29  1  0  0  0  0
 19 51  1  0  0  0  0
 20 28  1  0  0  0  0
 20 30  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  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
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  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
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 29 31  1  0  0  0  0
 29 33  1  0  0  0  0
 29 53  1  0  0  0  0
 30 32  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 36  1  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 37  1  0  0  0  0
 35 59  1  0  0  0  0
 36 38  1  0  0  0  0
 36 60  1  0  0  0  0
 37 39  1  0  0  0  0
 37 61  1  0  0  0  0
 38 40  1  0  0  0  0
 38 62  1  0  0  0  0
 39 65  1  0  0  0  0
 39 66  1  0  0  0  0
 40 67  1  0  0  0  0
 40 68  1  0  0  0  0
M  CHG  5   1   4   2  -1   3  -1  17  -1  18  -1
M  END

$$$$
D00VUI
  -OEChem-10101305032D

 20 22  0     0  0  0  0  0  0999 V2000
    7.3424    0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0241    0.0000 O   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
    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
    5.5301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -0.8047    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
    7.9260    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.8329    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  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  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  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  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 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

$$$$
D00VUN
  -OEChem-03141904482D

 37 37  0     0  0  0  0  0  0999 V2000
    4.6497    2.0123    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8010    3.5222    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.1598    2.8956    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.5222    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6612    3.0123    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6497    2.0239    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6496    2.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -2.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.6422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.6769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -0.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -2.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.0977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -2.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.0434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.0329    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
  1  9  2  0  0  0  0
  1 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  6 15  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  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
 16 20  1  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 30  1  0  0  0  0
 21 23  1  0  0  0  0
 21 31  1  0  0  0  0
 22 24  2  0  0  0  0
 22 32  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  CHG  4   2   1   3   1   7  -1   8  -1
M  END

$$$$
D00WDY
  -OEChem-04152111242D

 52 55  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
    9.7942    5.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 O   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
    4.7320   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.2500    0.0000 N   0  0  0  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    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    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
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 29 31  1  0  0  0  0
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 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
M  END

$$$$
D00WHL
          03291100082D 1   1.00000     0.00000     0

 16 16  0     0  0            999 V2000
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 11  2  1  0     0  0
  6  7  1  0     0  0
  2 16  1  0     0  0
M  END

$$$$
D00WME
  -OEChem-10101305032D

 86 91  0     1  0  0  0  0  0999 V2000
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 46 84  1  0  0  0  0
 47 85  1  0  0  0  0
M  END

$$$$
D00WPT
  -OEChem-04152111302D

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M  END

$$$$
D00WZK
  -OEChem-08301509492D

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M  END

$$$$
D00XBC
  -OEChem-04152111222D

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M  END

$$$$
D00XCX
          11280715062D 1   1.00000     0.00000     0

 29 33  0     1  0            999 V2000
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 10  5  1  0     0  0
 11  1  1  0     0  0
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 14  2  1  0     0  0
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 18  9  2  0     0  0
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 23  4  2  0     0  0
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 29 28  1  0     0  0
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 16 12  1  0     0  0
 13 15  1  0     0  0
 21 20  2  0     0  0
M  END

$$$$
D00XKB
  -OEChem-10191521162D

 61 65  0     1  0  0  0  0  0999 V2000
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 34 35  3  0  0  0  0
 35 36  1  0  0  0  0
 36 59  1  0  0  0  0
 36 60  1  0  0  0  0
 36 61  1  0  0  0  0
M  END

$$$$
D00XQO
  -OEChem-10101305032D

 66 68  0     1  0  0  0  0  0999 V2000
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    9.8293    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6763    1.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6024    1.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4493    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6763    2.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 50  1  0  0  0  0
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 28 63  1  0  0  0  0
 29 30  1  0  0  0  0
 29 64  1  0  0  0  0
M  END

$$$$
D00XVL
  -OEChem-04152111192D

 64 70  0     1  0  0  0  0  0999 V2000
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 22 24  2  0  0  0  0
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 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 34  1  0  0  0  0
 31 33  2  0  0  0  0
 31 59  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 61  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 62  1  0  0  0  0
 36 38  1  0  0  0  0
 36 63  1  0  0  0  0
 37 38  2  0  0  0  0
 38 64  1  0  0  0  0
M  END

$$$$
D00XWB
          10130900432D 1   1.00000     0.00000     0

 25 27  0     1  0            999 V2000
    0.8546   -1.2479    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6105   -1.0748    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9441   -0.3704    0.0000 C   0  0  2  0  0  0           0  0  0
    1.6046    0.3271    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.1077    0.0083    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.3969   -1.6016    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
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  7  6  1  0     0  0
  7  1  1  0     0  0
  9  8  1  0     0  0
 10  9  2  0     0  0
 11 10  1  0     0  0
 11  7  2  0     0  0
  8  6  2  0     0  0
  3 12  1  6     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 14 16  1  6     0  0
 19 18  1  0     0  0
 20 19  2  0     0  0
 21 20  1  0     0  0
 22 21  2  0     0  0
 23 22  1  0     0  0
 23 18  2  0     0  0
 24 25  1  0     0  0
 19 24  1  0     0  0
 17 18  1  0     0  0
 15 17  1  0     0  0
 12 13  1  0     0  0
M  END

$$$$
D00YBW
          10300700062D 1   1.00000     0.00000     0

 33 36  0     1  0            999 V2000
    2.2159   -1.5790    0.0000 C   0  0  1  0  0  0           0  0  0
    1.5037   -1.1667    0.0000 C   0  0  2  0  0  0           0  0  0
    1.3784   -0.3476    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9869   -1.2753    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9362    0.2609    0.0000 P   0  0  3  0  0  0           0  0  0
    3.2291   -0.4834    0.0000 P   0  0  3  0  0  0           0  0  0
    2.7594    0.1982    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.2157   -2.4083    0.0000 C   0  0  2  0  0  0           0  0  0
    2.9850   -2.7059    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3872   -3.6352    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2341   -3.4890    0.0000 P   0  0  3  0  0  0           0  0  0
    1.9510   -4.2366    0.0000 P   0  0  3  0  0  0           0  0  0
    2.7721   -4.1687    0.0000 O   0  0  0  0  0  0           0  0  0
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    0.1438   -1.0715    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6591   -2.7484    0.0000 P   0  0  3  0  0  0           0  0  0
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   -0.6667   -0.4292    0.0000 O   0  0  0  0  0  0           0  0  0
  5 15  2  0     0  0
  4  6  1  0     0  0
  5 16  1  0     0  0
  6 17  2  0     0  0
  5  7  1  0     0  0
  6 18  1  0     0  0
  6  7  1  0     0  0
 13 19  2  0     0  0
  1  2  1  0     0  0
 13 20  1  0     0  0
 23  2  1  0     0  0
 12 21  2  0     0  0
  8  9  1  0     0  0
 12 22  1  0     0  0
  2  3  1  1     0  0
  9 10  1  1     0  0
 23 24  1  0     0  0
 24  8  1  0     0  0
 24 25  1  1     0  0
  8 11  1  6     0  0
 23 26  1  6     0  0
  1  4  1  1     0  0
 25 27  1  0     0  0
 10 12  1  0     0  0
 26 28  1  0     0  0
  9  1  1  0     0  0
 27 29  1  0     0  0
 28 29  1  0     0  0
 11 13  1  0     0  0
 27 30  1  0     0  0
  3  5  1  0     0  0
 27 31  2  0     0  0
 12 14  1  0     0  0
 28 32  2  0     0  0
 13 14  1  0     0  0
 28 33  1  0     0  0
M  END

$$$$
D00YBZ
  -OEChem-04152110592D

 39 42  0     1  0  0  0  0  0999 V2000
    4.6660    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8622   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2651   -1.1900    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  6  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  2  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
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 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
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 16 19  2  0  0  0  0
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 17 18  2  0  0  0  0
 17 33  1  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 22  2  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 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D00YDN
          12081000512D 1   1.00000     0.00000     0

 26 24  0     0  0            999 V2000
    6.0667    1.3000    0.0000 C   0  0  3  0  0  0           0  0  0
    6.6792    1.6583    0.0000 C   0  0  3  0  0  0           0  0  0
    5.4542    1.6500    0.0000 C   0  0  3  0  0  0           0  0  0
    7.2917    1.3083    0.0000 C   0  0  3  0  0  0           0  0  0
    4.8417    1.2958    0.0000 C   0  0  3  0  0  0           0  0  0
    7.9042    1.6583    0.0000 C   0  0  3  0  0  0           0  0  0
    4.2292    1.6458    0.0000 C   0  0  3  0  0  0           0  0  0
    8.5167    1.3083    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0292    2.2708    0.0000 F   0  0  0  0  0  0           0  0  0
    6.3250    2.2708    0.0000 F   0  0  0  0  0  0           0  0  0
    5.7125    0.6875    0.0000 F   0  0  0  0  0  0           0  0  0
    6.4167    0.6875    0.0000 F   0  0  0  0  0  0           0  0  0
    7.6417    0.6958    0.0000 F   0  0  0  0  0  0           0  0  0
    6.9375    0.6958    0.0000 F   0  0  0  0  0  0           0  0  0
    5.8042    2.2708    0.0000 F   0  0  0  0  0  0           0  0  0
    5.1000    2.2708    0.0000 F   0  0  0  0  0  0           0  0  0
    5.1917    0.6833    0.0000 F   0  0  0  0  0  0           0  0  0
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    8.2542    2.2750    0.0000 F   0  0  0  0  0  0           0  0  0
    7.5500    2.2750    0.0000 F   0  0  0  0  0  0           0  0  0
    8.5208    0.6000    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.8750    2.2667    0.0000 F   0  0  0  0  0  0           0  0  0
    9.1292    1.6625    0.0000 O   0  0  0  0  0  0           0  0  0
   10.3000    1.4375    0.0000 N   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
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  6  4  1  0     0  0
  7  5  1  0     0  0
  8  6  1  0     0  0
  9  2  1  0     0  0
 10  2  1  0     0  0
 11  1  1  0     0  0
 12  1  1  0     0  0
 13  4  1  0     0  0
 14  4  1  0     0  0
 15  3  1  0     0  0
 16  3  1  0     0  0
 17  5  1  0     0  0
 18  5  1  0     0  0
 19  6  1  0     0  0
 20  6  1  0     0  0
 21  8  2  0     0  0
 22  7  1  0     0  0
 23  7  1  0     0  0
 24  7  1  0     0  0
 25  8  1  0     0  0
M  END

$$$$
D00YER
  -OEChem-10191522592D

 54 57  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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6535   -2.5072    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    2.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6766   -0.5074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.0064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    2.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5368   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5252   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4085   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3854   -2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2687   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2572   -2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1361   -0.8112    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
  2 33  1  0  0  0  0
  3 29  1  0  0  0  0
  4 11  1  0  0  0  0
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  6 19  1  0  0  0  0
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  8 26  2  0  0  0  0
  9 24  1  0  0  0  0
  9 27  1  0  0  0  0
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 10 24  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 38  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 41  1  0  0  0  0
 14 42  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
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 43  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 25  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 23 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  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 31  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
 32 33  1  0  0  0  0
 32 54  1  0  0  0  0
M  END

$$$$
D00YEV
  -OEChem-10121500322D

 30 32  0     0  0  0  0  0  0999 V2000
    6.0290    0.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174   -2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5312    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5273    1.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -0.9416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694   -0.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571    2.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    0.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570    3.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630    2.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.5113    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  9  1  0  0  0  0
  2 28  1  0  0  0  0
  3 14  1  0  0  0  0
  3 29  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  2  0  0  0  0
 17 24  1  0  0  0  0
 18 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
 20 27  1  0  0  0  0
M  END

$$$$
D00YLM
  SciTegic12111210002D

 24 26  0  0  1  0            999 V2000
    4.3500   -5.2542    0.0000 N   0  0
    3.1250   -4.5417    0.0000 C   0  0
    4.9667   -5.6167    0.0000 C   0  0  2  0  0  0
    5.5875   -5.2667    0.0000 C   0  0  2  0  0  0
    3.7375   -4.1792    0.0000 C   0  0
    3.1167   -5.2542    0.0000 C   0  0
    3.7292   -5.6042    0.0000 C   0  0
    4.3542   -4.5417    0.0000 C   0  0
    6.2000   -5.6292    0.0000 C   0  0
    2.4125   -4.5417    0.0000 C   0  0
    6.1917   -6.3417    0.0000 C   0  0
    6.8167   -5.2792    0.0000 C   0  0
    2.9417   -3.8542    0.0000 O   0  0
    5.5917   -4.5542    0.0000 O   0  0
    7.4250   -6.3417    0.0000 C   0  0
    6.8042   -6.7042    0.0000 C   0  0
    7.4292   -5.6292    0.0000 C   0  0
    8.0417   -6.7042    0.0000 O   0  0
    4.9625   -6.3292    0.0000 C   0  0
    2.0667   -3.9292    0.0000 C   0  0
    2.0625   -5.1542    0.0000 C   0  0
    1.3417   -5.1542    0.0000 C   0  0
    1.3542   -3.9167    0.0000 C   0  0
    0.9917   -4.5292    0.0000 C   0  0
  2  5  1  0
  3  1  1  0
  4  3  1  0
  5  8  1  0
  6  7  1  0
  7  1  1  0
  8  1  1  0
  9  4  1  0
 10  2  1  0
 11  9  2  0
 12  9  1  0
 13  2  1  0
  4 14  1  1
 15 17  1  0
 16 11  1  0
 17 12  2  0
 18 15  1  0
  3 19  1  6
 20 10  1  0
 21 10  2  0
 22 21  1  0
 23 20  2  0
 24 22  2  0
  6  2  1  0
 15 16  2  0
 24 23  1  0
M  END

$$$$
D00YPR
  -OEChem-10121501472D

 56 58  0     0  0  0  0  0  0999 V2000
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    5.4641   -4.7691    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    1.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661   -2.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8223    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    1.8013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7891   -1.6814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -1.3212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3582   -1.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -6.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -6.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    6.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9462    2.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3 28  1  0  0  0  0
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  5 21  2  0  0  0  0
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  7 27  2  0  0  0  0
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  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 49  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 50  1  0  0  0  0
 11 24  2  0  0  0  0
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 12 55  1  0  0  0  0
 12 56  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 16  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  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
 16 40  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 19  1  0  0  0  0
 18 43  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
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 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  2  0  0  0  0
 26 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 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D00ZEG
          01210517112D 1   1.00000     0.00000     0

 37 40  0     0  0            999 V2000
    3.0292   -2.6292    0.0000 C   0  0  3  0  0  0           0  0  0
    3.7042   -2.5417    0.0000 C   0  0  3  0  0  0           0  0  0
    2.3167   -2.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2167   -2.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7292   -2.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8125   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.1250   -3.5792    0.0000 N   0  0  3  0  0  0           0  0  0
    3.2417   -1.9000    0.0000 C   0  0  3  0  0  0           0  0  0
    7.7542   -3.7167    0.0000 N   0  0  3  0  0  0           0  0  0
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    6.5417   -4.3667    0.0000 N   0  0  3  0  0  0           0  0  0
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    3.4292   -3.5542    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6792   -2.6042    0.0000 O   0  0  0  0  0  0           0  0  0
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    7.1542   -3.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3667   -2.6792    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.5542   -3.7000    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1375   -4.7542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8292   -1.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6917   -1.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7667   -2.3292    0.0000 O   0  0  0  0  0  0           0  0  0
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    8.9500   -3.7375    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9750   -2.3417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1667   -2.6750    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9417   -4.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -4.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3167   -4.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3292   -4.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5542   -3.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7375   -4.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5625   -2.7000    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  2  1  0     0  0
  5  1  1  0     0  0
  6  2  1  0     0  0
  7  3  1  0     0  0
  8  5  1  0     0  0
  9  1  1  0     0  0
 10 17  1  0     0  0
 11 10  1  0     0  0
 12 27  1  0     0  0
 13  6  2  0     0  0
 14  4  2  0     0  0
 15  5  2  0     0  0
 16  3  2  0     0  0
 17 23  1  0     0  0
 18 22  1  0     0  0
 19 11  2  0     0  0
 20  7  1  0     0  0
 21  8  1  0     0  0
 22 12  1  0     0  0
 23 12  1  0     0  0
 24  9  1  0     0  0
 25  9  1  0     0  0
 26 19  1  0     0  0
 27 33  1  0     0  0
 28 11  1  0     0  0
 29 19  1  0     0  0
 30 26  1  0     0  0
 31 20  1  0     0  0
 32 21  1  0     0  0
 33 32  1  0     0  0
 34 31  1  0     0  0
 35 28  2  0     0  0
 36 34  1  0     0  0
 37 35  1  0     0  0
  4  8  1  0     0  0
  7  6  1  0     0  0
 18 10  1  0     0  0
 37 29  2  0     0  0
M  END

$$$$
D00ZGF
  -OEChem-04152111242D

 55 57  0     0  0  0  0  0  0999 V2000
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    2.8660   -2.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6032    4.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942    5.9244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.6144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    1.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    3.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9852    4.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    5.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.6956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.9682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.2779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    2.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    2.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    1.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    1.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    3.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    2.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    3.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3956    4.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9298    6.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -5.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.6514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 19  2  0  0  0  0
  3 22  1  0  0  0  0
  3 28  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8 24  1  0  0  0  0
  9 27  1  0  0  0  0
  9 51  1  0  0  0  0
  9 52  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 29  1  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  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 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
 16 17  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
 17 42  1  0  0  0  0
 17 43  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
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 47  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 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 27  2  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

$$$$
D00ZPT
  -OEChem-04152111322D

 54 56  0     1  0  0  0  0  0999 V2000
    2.0000    3.1651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.4330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.6279   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    3.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -3.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -2.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.2990    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.5443    2.9698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.3603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    2.1651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1279   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479    2.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2105   -1.9530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202   -1.5545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    3.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6029   -3.4296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6029   -2.6326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    3.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379    0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179   -1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0453   -4.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356   -4.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0079   -0.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -1.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2479   -0.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279    0.1870    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
  3 17  1  0  0  0  0
  3 24  1  0  0  0  0
  4 16  1  0  0  0  0
  4 32  1  0  0  0  0
  5 19  2  0  0  0  0
  6 23  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  0  0  0  0
 11  8  1  6  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
  9 40  1  0  0  0  0
 10 14  2  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  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
 18 20  2  0  0  0  0
 18 23  1  0  0  0  0
 18 26  1  0  0  0  0
 19 24  1  0  0  0  0
 20 41  1  0  0  0  0
 21 26  2  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 28  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 29  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 30  2  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
 30 31  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
 32 54  1  0  0  0  0
M  CHG  2   2   1   8  -1
M  END

$$$$
D01ABX
  -OEChem-02061504242D

 63 66  0     0  0  0  0  0  0999 V2000
    2.0000   -1.4440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0367    1.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
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M  END

$$$$
D01AEF
  -OEChem-04152111162D

 35 37  0     0  0  0  0  0  0999 V2000
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 21 35  1  0  0  0  0
M  END

$$$$
D01ASM
  -OEChem-04152108402D

 49 51  0     1  0  0  0  0  0999 V2000
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 19 38  1  0  0  0  0
 20 22  2  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
 23 43  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
M  END

$$$$
D01AYX
  -OEChem-10111523162D

 59 63  0     1  0  0  0  0  0999 V2000
    2.7431    0.0530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5963   -0.1955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144   -0.1955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4931   -1.9556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5594    1.8337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5963    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053    0.3923    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3884    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    1.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9053    1.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9053    1.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2298    0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5903    2.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9053   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9053   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9327    1.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6108    2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3176   -1.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9100    1.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2154    0.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5820    2.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927    0.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8647    0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4981   -0.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8034   -1.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1088   -2.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    2.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621    2.1966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747   -0.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -0.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    2.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488   -0.6888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8158    1.9541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2825    1.3618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7284   -0.8545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334    0.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4145    0.1560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3919    3.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0239    2.9695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160   -1.5912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9531   -2.4572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8191   -2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    1.1829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    1.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.2614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2409   -2.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097   -1.8908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988   -0.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3927    2.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4707    0.7502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5184   -2.9052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2981   -3.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992   -2.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  2  0  0  0  0
  3  7  1  0  0  0  0
  3 19  2  0  0  0  0
  4 19  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  5 26  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
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 38  1  0  0  0  0
 12 41  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 17  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 19  1  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  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 49  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 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  3  0  0  0  0
 30 31  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
M  END

$$$$
D01AZP
          06151101222D 1   1.00000     0.00000     0

 33 33  0     0  0            999 V2000
   -1.4417    0.0625    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4417   -0.6458    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8296   -1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8296    0.4167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2176    0.0625    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2177   -0.6467    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4568   -0.8659    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8738   -0.2922    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4569    0.2816    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4500   -1.5708    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1668   -1.9190    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0600   -1.9309    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0493   -2.6386    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6586   -2.9986    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2763   -2.6504    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2809   -1.9384    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6711   -1.5816    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8965   -1.5880    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5077   -1.9460    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8867   -3.0097    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5031   -2.6607    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6514   -3.7069    0.0000 O   0  0  0  0  0  0           0  0  0
    2.2611   -4.0673    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5821   -0.2922    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0553    0.4164    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.6685    0.0619    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8296    1.1250    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2162    1.4792    0.0000 P   0  0  3  0  0  0           0  0  0
    0.3972    1.1250    0.0000 O   0  5  0  0  0  0           0  0  0
    0.1333    2.1000    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.5750    2.1000    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0208    1.7500    0.0000 Na  0  3  0  0  0  0           0  0  0
    1.9250    0.9375    0.0000 Na  0  3  0  0  0  0           0  0  0
  5  6  2  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
  1  2  1  0     0  0
 16 17  2  0     0  0
 17 12  1  0     0  0
 16 18  1  0     0  0
 18 19  1  0     0  0
 15 20  1  0     0  0
  6  7  1  0     0  0
 20 21  1  0     0  0
  7  8  2  0     0  0
 14 22  1  0     0  0
  8  9  1  0     0  0
 22 23  1  0     0  0
  9  5  1  0     0  0
  8 24  1  0     0  0
  1 25  1  0     0  0
  7 10  1  0     0  0
 25 26  1  0     0  0
  1  4  2  0     0  0
  4 27  1  0     0  0
 10 11  2  0     0  0
 27 28  1  0     0  0
  2  3  2  0     0  0
 28 29  1  0     0  0
 10 12  1  0     0  0
 28 30  1  0     0  0
  3  6  1  0     0  0
 28 31  2  0     0  0
 12 13  2  0     0  0
  5  4  1  0     0  0
 13 14  1  0     0  0
M  CHG  4  29  -1  30  -1  32   1  33   1
M  END

$$$$
D01BDY
          03231100282D 1   1.00000     0.00000     0

 20 21  0     0  0            999 V2000
    4.0167  -11.7333    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0167  -12.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6287  -12.7958    0.0000 C   0  0  1  0  0  0           0  0  0
    5.2407  -12.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2407  -11.7333    0.0000 C   0  0  1  0  0  0           0  0  0
    4.6287  -11.3792    0.0000 C   0  0  2  0  0  0           0  0  0
    4.6287  -10.6708    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6287  -13.5042    0.0000 O   0  0  0  0  0  0           0  0  0
    5.8500  -12.0875    0.0000 O   0  0  0  0  0  0           0  0  0
    5.8500  -11.3750    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4646  -11.7260    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0735  -11.3683    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0682  -10.6607    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4489  -10.3124    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8426  -10.6721    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4407   -9.6041    0.0000 O   0  0  0  0  0  0           0  0  0
    7.0500   -9.2429    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0153  -10.3167    0.0000 N   0  0  3  0  0  0           0  0  0
    4.0153   -9.6083    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4018  -10.6708    0.0000 C   0  0  0  0  0  0           0  0  0
  5 10  1  0     0  0
  3  4  1  0     0  0
 10 11  2  0     0  0
  4  5  1  0     0  0
 11 12  1  0     0  0
  5  6  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
  6  7  1  1     0  0
 14 15  2  0     0  0
 15 10  1  0     0  0
  1  2  1  0     0  0
 14 16  1  0     0  0
  3  8  1  1     0  0
 16 17  1  0     0  0
  1  6  1  0     0  0
  7 18  1  0     0  0
  5  9  1  1     0  0
 18 19  1  0     0  0
  2  3  1  0     0  0
 18 20  1  0     0  0
M  END

$$$$
D01BPP
  -OEChem-10101305032D

205218  0     1  0  0  0  0  0999 V2000
   18.2777    2.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0103    1.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8619    1.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7120   11.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3802    7.4545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7288    6.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714    9.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4439    6.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829   13.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2399    9.5528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3930   11.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3525    8.8496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7408   18.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6068   16.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2049   19.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7408   21.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4728   21.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0613   17.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    3.2382    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   17.6633    4.2388    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   19.0209    2.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3816   13.5554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0940   12.8121    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   19.7640    1.6260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8682    7.5181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0864   10.6733    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.2388    9.9602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9495    7.8340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3388   17.5915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6690   16.0915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3051   16.6089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3131   14.5396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0729   14.5810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9331   16.0843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8049   14.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1236    3.7385    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4981    3.0439    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.0378    3.5442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7869    2.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3267    2.6552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7385    4.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7012    1.9606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4602    5.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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109110  1  0  0  0  0
109111  1  0  0  0  0
M  END

$$$$
D01BVI
  -OEChem-02061503592D

 23 24  0     0  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D01CDE
  -OEChem-10111523442D

 48 51  0     1  0  0  0  0  0999 V2000
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 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END

$$$$
D01CGV
  -OEChem-04152111112D

 54 57  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01CNB
  -OEChem-10111523172D

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M  END

$$$$
D01CXJ
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M  END

$$$$
D01DDN
  -OEChem-10111523192D

 36 38  0     0  0  0  0  0  0999 V2000
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 16 34  1  0  0  0  0
M  END

$$$$
D01DGZ
  -OEChem-04152110502D

 61 66  0     1  0  0  0  0  0999 V2000
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 38 40  1  0  0  0  0
 39 60  1  0  0  0  0
M  END

$$$$
D01ELU
          03251100512D 1   1.00000     0.00000     0

 23 23  0     1  0            999 V2000
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  2 13  1  0     0  0
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 10  9  2  0     0  0
 11  7  2  0     0  0
 12  3  1  0     0  0
 13 22  1  0     0  0
 14  4  2  0     0  0
 15 21  1  0     0  0
 16 14  1  0     0  0
 17  5  1  0     0  0
 18  5  1  0     0  0
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 20 16  2  0     0  0
 21 12  1  0     0  0
 22 19  1  0     0  0
 12 23  1  6     0  0
 11 20  1  0     0  0
M  END

$$$$
D01FDL
          01210517112D 1   1.00000     0.00000     0

 24 25  0     0  0            999 V2000
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    3.7792   -4.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1542   -1.6042    0.0000 O   0  0  0  0  0  0           0  0  0
    5.8917   -3.0042    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7792   -1.9542    0.0000 C   0  0  2  0  0  0           0  0  0
    3.7792   -2.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1167   -3.0042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -4.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3917   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3917   -1.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -4.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5500   -4.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7792   -0.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5500   -4.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3917   -5.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1542   -5.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1542   -0.8917    0.0000 C   0  0  0  0  0  0           0  0  0
  3  2  1  0     0  0
  4  1  2  0     0  0
  5  1  2  0     0  0
  6  3  1  0     0  0
  7 17  1  0     0  0
  8  6  1  0     0  0
  9  3  2  0     0  0
 10 12  1  0     0  0
 11  1  1  0     0  0
 12 13  1  1     0  0
 13  8  1  0     0  0
 14  1  1  0     0  0
 15  2  1  0     0  0
 16  2  1  0     0  0
 17 12  1  0     0  0
 18 15  1  0     0  0
 19 23  2  0     0  0
 20  7  1  0     0  0
 21  6  2  0     0  0
 22 18  1  0     0  0
 23  9  1  0     0  0
 24 10  1  0     0  0
  9 22  1  0     0  0
 21 19  1  0     0  0
 20 24  1  0     0  0
M  END

$$$$
D01FDN
          11280715522D 1   1.00000     0.00000     0

 25 26  0     1  0            999 V2000
    5.7257   -3.6045    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4878   -2.8901    0.0000 N   0  0  0  0  0  0           0  0  0
    4.9004   -3.6045    0.0000 C   0  0  1  0  0  0           0  0  0
    4.4878   -4.3189    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1384   -4.3189    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9004   -5.0378    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3763   -3.6045    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1384   -2.8901    0.0000 N   0  0  0  0  0  0           0  0  0
    6.9637   -2.8901    0.0000 C   0  0  1  0  0  0           0  0  0
    7.3763   -2.1757    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9637   -1.4614    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3763   -0.7470    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2017   -0.7470    0.0000 O   0  0  0  0  0  0           0  0  0
    6.9637   -0.0326    0.0000 N   0  0  0  0  0  0           0  0  0
    8.2017   -3.6045    0.0000 O   0  0  0  0  0  0           0  0  0
    6.9637   -4.3189    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4810   -5.7536    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1388   -5.7528    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7245   -5.0373    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7226   -6.4746    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8959   -6.4683    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4789   -7.1799    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8874   -7.8984    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7173   -7.9008    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1306   -7.1885    0.0000 C   0  0  0  0  0  0           0  0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 12 14  1  0     0  0
  7 15  2  0     0  0
  7 16  1  0     0  0
  1  8  1  0     0  0
  6 17  2  0     0  0
 17 21  1  0     0  0
  3  2  1  0     0  0
 20 18  1  0     0  0
  1  3  1  0     0  0
 18 19  2  0     0  0
 19  6  1  0     0  0
  3  4  1  6     0  0
  1  5  2  0     0  0
 20 21  1  0     0  0
  6  4  1  0     0  0
 21 22  2  0     0  0
  9  8  1  1     0  0
 22 23  1  0     0  0
  7  9  1  0     0  0
 23 24  2  0     0  0
  9 10  1  0     0  0
 24 25  1  0     0  0
 25 20  2  0     0  0
M  ENDM  END

$$$$
D01FQR
  -OEChem-10121500252D

 56 60  0     0  0  0  0  0  0999 V2000
    2.0000   -0.6446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7684   -2.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055   -1.1683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4414   -0.1683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7402   -2.6571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7715    0.3317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055    1.8317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093   -1.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754   -1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093   -0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4414   -1.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1734   -0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355   -1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0395    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677   -2.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0395    1.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7715    1.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9785   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1734    1.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6654    1.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5715    1.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6539    2.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4973    0.4143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5720   -0.6433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4834    2.3686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8634    1.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1073    1.6646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1073   -0.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2738    2.8734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6467    3.4862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    2.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  5  1  0  0  0  0
  2 18  1  0  0  0  0
  3 21  2  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 14  2  0  0  0  0
  6 21  1  0  0  0  0
  6 23  1  0  0  0  0
  6 28  1  0  0  0  0
  7 20  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  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 39  1  0  0  0  0
 11 40  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 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  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  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 24  2  0  0  0  0
 19 45  1  0  0  0  0
 20 26  1  0  0  0  0
 22 25  2  0  0  0  0
 22 46  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 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
M  END

$$$$
D01FQV
          01210521492D 1   1.00000     0.00000     0

  7  5  0     0  0            999 V2000
    0.2710    0.4349    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0490   -0.3584    0.0000 C   0  0  3  0  0  0           0  0  0
    0.2710    2.0302    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5822   -0.2666    0.0000 O   0  5  0  0  0  0           0  0  0
   -2.4585    0.2644    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -1.1670   -1.8947    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.6631    1.2325    0.0000 Na  0  3  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  1  0     0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D01FUC
          01250506262D 1   1.00000     0.00000     0

 32 37  0     1  0            999 V2000
    5.8125   -2.3750    0.0000 N   0  0  3  0  0  0           0  0  0
    6.8000   -3.0917    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.5167   -2.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7167   -2.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7250   -2.0125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6792   -3.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4917   -2.0125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1167   -1.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1042   -3.0792    0.0000 N   0  0  0  0  0  0           0  0  0
    2.8792   -1.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6667   -4.3125    0.0000 C   0  0  1  0  0  0           0  0  0
    3.5000   -2.8000    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4042   -1.7917    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.8792   -0.9417    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.5000   -0.5792    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.4542   -4.5542    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  2  2  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7 15  1  0     0  0
  8  3  2  0     0  0
  9 10  1  0     0  0
 10  7  2  0     0  0
 11  6  2  0     0  0
 12  9  2  0     0  0
 13  4  1  0     0  0
 14 11  1  0     0  0
 15  1  1  0     0  0
 16 19  1  0     0  0
 17 12  1  0     0  0
 18  2  1  0     0  0
 19 18  1  0     0  0
 20 14  2  0     0  0
 21 20  1  0     0  0
 22 26  1  0     0  0
 23 10  1  0     0  0
 24  5  2  0     0  0
 25 16  2  0     0  0
 26 23  1  0     0  0
 13 27  1  1     0  0
 28 21  1  0     0  0
 23 29  1  6     0  0
 30 13  1  0     0  0
 31 17  1  0     0  0
 32 30  1  0     0  0
  6  7  1  0     0  0
  4  8  1  0     0  0
 14  9  1  0     0  0
 16 13  1  0     0  0
 22 12  1  0     0  0
 21 17  2  0     0  0
M  END

$$$$
D01FUL
          05241100072D 1   1.00000     0.00000     0

 36 37  0     1  0            999 V2000
    1.2584   -4.8875    0.0000 C   0  0  1  0  0  0           0  0  0
    1.9667   -4.8875    0.0000 C   0  0  2  0  0  0           0  0  0
    2.1860   -4.2159    0.0000 C   0  0  1  0  0  0           0  0  0
    1.6125   -3.7958    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0392   -4.2159    0.0000 C   0  0  1  0  0  0           0  0  0
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    0.6792   -3.5958    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0291   -3.5916    0.0000 O   0  0  0  0  0  0           0  0  0
    2.1792   -3.4958    0.0000 N   0  0  3  0  0  0           0  0  0
    2.7938   -3.1375    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7889   -2.4288    0.0000 N   0  0  0  0  0  0           0  0  0
    2.1707   -2.0732    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5561   -2.4398    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5596   -3.1456    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4097   -3.4896    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.7959   -4.5666    0.0000 H   0  0  0  0  0  0           0  0  0
   -0.3869   -2.9739    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0372   -2.3579    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0960   -2.9777    0.0000 C   0  0  3  0  0  0           0  0  0
    1.1309   -6.1077    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8354   -6.1230    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0855   -5.4781    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4274   -6.1000    0.0000 C   0  0  3  0  0  0           0  0  0
    3.4845   -4.9190    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1356   -6.1004    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0729   -6.7132    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7389   -6.6685    0.0000 C   0  0  3  0  0  0           0  0  0
    0.0320   -6.6532    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0539   -7.3322    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4457   -3.5937    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4553   -2.3656    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1880   -4.2006    0.0000 N   0  3  0  0  0  0           0  0  0
   -0.8083   -3.8458    0.0000 N   0  5  0  0  0  0           0  0  0
 14 18  1  0     0  0
  5  9  1  0     0  0
  4  5  1  0     0  0
  9 10  1  0     0  0
  3 19  1  6     0  0
  5  1  1  0     0  0
 10 20  1  0     0  0
  3 11  1  0     0  0
 20 21  2  0     0  0
 11 12  1  0     0  0
 20 22  1  0     0  0
  1  2  1  0     0  0
  7 23  1  0     0  0
  2  6  1  6     0  0
 23 24  2  0     0  0
  6 25  1  0     0  0
  1  7  1  6     0  0
 25 26  1  0     0  0
  2  3  1  0     0  0
 25 27  2  0     0  0
 11 16  1  0     0  0
 26 28  1  0     0  0
 12 13  1  0     0  0
 26 29  1  0     0  0
 13 14  2  0     0  0
 23 30  1  0     0  0
 14 15  1  0     0  0
 30 31  1  0     0  0
 15 16  2  0     0  0
 30 32  1  0     0  0
  5  8  1  6     0  0
 22 33  1  0     0  0
 12 17  2  0     0  0
 22 34  1  0     0  0
  8 35  2  0     0  0
  3  4  1  0     0  0
 35 36  2  0     0  0
M  CHG  2  35   1  36  -1
M  END

$$$$
D01FYA
  -OEChem-04152122282D

 49 52  0     0  0  0  0  0  0999 V2000
    5.2619    3.0091    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.2770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2337    3.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4290    4.6121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -2.9173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.0818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746   -3.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -4.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531   -4.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    3.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    3.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    3.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    3.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    4.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -0.7346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6886   -3.4064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9432    4.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285    4.7966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  3 23  1  0  0  0  0
  3 28  1  0  0  0  0
  4 24  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 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 36  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8 15  2  0  0  0  0
  8 26  1  0  0  0  0
  9 20  1  0  0  0  0
  9 26  2  0  0  0  0
 10 20  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  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 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  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 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  2  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 24 27  2  0  0  0  0
 25 27  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
 28 47  1  0  0  0  0
M  END

$$$$
D01FZZ
  -OEChem-03141904472D

 64 67  0     0  0  0  0  0  0999 V2000
    2.8660    3.6651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.2942   -2.6651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660   -1.6651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8301   -3.6651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    3.6651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.6651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981   -0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5622   -3.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7942   -1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7942   -3.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    1.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4282   -2.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8301    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3301    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3301    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8301   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320   -1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641   -1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6962   -1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9641   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6962   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8301   -2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5622   -2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3660    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9330    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
   15.1603   -3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4290    0.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2225    1.8115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7475    0.9889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9127    0.9889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4378    1.8115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4737   -1.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4282   -1.5451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8503   -3.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6972   -3.4751    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
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 14  1  0  0  0  0
  2 39  1  0  0  0  0
  3 18  1  0  0  0  0
  4 31  1  0  0  0  0
  5 34  1  0  0  0  0
  6 38  1  0  0  0  0
  7 38  1  0  0  0  0
  8 38  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 32  2  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 27  1  0  0  0  0
 14 32  1  0  0  0  0
 14 60  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  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 21  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  2  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 23  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 49  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 55  1  0  0  0  0
 27 30  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 31  1  0  0  0  0
 28 58  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
 33 35  2  0  0  0  0
 33 59  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
 37 61  1  0  0  0  0
 39 62  1  0  0  0  0
 39 63  1  0  0  0  0
 39 64  1  0  0  0  0
M  END

$$$$
D01GEB
  -OEChem-10121500342D

 52 55  0     1  0  0  0  0  0999 V2000
    2.5369   -2.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9702    0.3551    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0812   -4.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3024    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9487    0.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01GFX
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M  END

$$$$
D01GVC
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M  END

$$$$
D01GVM
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 16  3  1  0     0  0
 18  4  1  0     0  0
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 17 24  1  0     0  0
M  END

$$$$
D01GXL
  SciTegic04151115542D

 27 29  0  0  0  0            999 V2000
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 22 19  1  0
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 11 12  1  0
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 27 22  1  0
M  END

$$$$
D01HBG
  -OEChem-04152109362D

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M  END

$$$$
D01HDP
  -OEChem-10191522552D

 77 80  0     1  0  0  0  0  0999 V2000
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 37 75  1  0  0  0  0
 39 76  1  0  0  0  0
M  END

$$$$
D01HKZ
  -OEChem-04152111252D

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 41 86  1  0  0  0  0
M  END

$$$$
D01HLO
  -OEChem-04152111262D

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M  END

$$$$
D01HQU
  -OEChem-03141904482D

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M  END

$$$$
D01HVM
  -OEChem-02061504032D

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 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
M  END

$$$$
D01HVZ
  -OEChem-10111523192D

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 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
M  END

$$$$
D01HXA
  -OEChem-04152110542D

 32 34  0     1  0  0  0  0  0999 V2000
    6.0682   -1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3984    1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 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
M  END

$$$$
D01ICY
          03011100062D 1   1.00000     0.00000     0

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

$$$$
D01IED
  -OEChem-04152111122D

 51 53  0     1  0  0  0  0  0999 V2000
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   10.1037   -3.1106    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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 10 21  2  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
 13 33  1  0  0  0  0
 14 20  2  0  0  0  0
 14 23  1  0  0  0  0
 16 35  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 34  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 21 26  1  0  0  0  0
 21 40  1  0  0  0  0
 22 27  2  0  0  0  0
 22 41  1  0  0  0  0
 23 28  2  0  0  0  0
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 25 45  1  0  0  0  0
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 25 47  1  0  0  0  0
 26 29  2  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END

$$$$
D01IGZ
  -OEChem-03141904542D

 26 28  0     0  0  0  0  0  0999 V2000
    6.4783    0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0000    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
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4 17  2  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 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  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 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

$$$$
D01IHR
  -OEChem-04152109432D

 83 82  0     0  0  0  0  0  0999 V2000
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   16.3239    3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1899    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 17 24  1  0  0  0  0
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 23 31  1  0  0  0  0
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 25 33  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 71  1  0  0  0  0
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 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
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 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
M  END

$$$$
D01ISE
          01220515402D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
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    5.7125   -3.3667    0.0000 N   0  0  3  0  0  0           0  0  0
    5.0917   -2.3042    0.0000 C   0  0  0  0  0  0           0  0  0
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 11  2  1  0     0  0
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 21  8  1  0     0  0
  7  5  1  0     0  0
 15 19  2  0     0  0
 17 13  2  0     0  0
M  END

$$$$
D01IUS
          02201001102D 1   1.00000     0.00000     0

 33 36  0     1  0            999 V2000
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   -2.4046   -0.1583    0.0000 C   0  0  0  0  0  0           0  0  0
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   -3.5405    1.3845    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.1707    1.2664    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.5551    0.9131    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5576    0.2017    0.0000 C   0  0  2  0  0  0           0  0  0
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 11 16  1  0     0  0
  5  1  1  0     0  0
 13 17  1  6     0  0
  1  2  2  0     0  0
 13 18  1  0     0  0
  6  7  1  0     0  0
 18 19  1  0     0  0
  7  8  1  0     0  0
 18 20  1  0     0  0
  8  9  1  0     0  0
 18 21  1  0     0  0
  9  5  1  0     0  0
 14 22  1  0     0  0
  2  3  1  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
  2 10  1  0     0  0
  3  4  2  0     0  0
  4 11  1  0     0  0
 23 27  1  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 28  1  0     0  0
 27 28  2  0     0  0
  4  6  1  0     0  0
 11 12  1  0     0  0
  5  6  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 27 32  1  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 30 33  1  0     0  0
 11 15  1  0     0  0
M  END

$$$$
D01IVE
  -OEChem-04152109092D

 52 54  0     1  0  0  0  0  0999 V2000
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    9.7942    1.2500    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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 11 38  1  0  0  0  0
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 13 15  1  0  0  0  0
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 18 23  1  0  0  0  0
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 20 22  2  0  0  0  0
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 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

$$$$
D01IWJ
  -OEChem-10101305032D

 66 70  0     1  0  0  0  0  0999 V2000
   10.0622    0.3638    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 36 65  1  0  0  0  0
 37 66  1  0  0  0  0
M  END

$$$$
D01JFM
  -OEChem-02061504152D

 15 15  0     0  0  0  0  0  0999 V2000
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  2 15  1  0  0  0  0
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  7 13  1  0  0  0  0
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  9 14  1  0  0  0  0
M  END

$$$$
D01JGE
  -OEChem-10101305022D

 46 50  0     1  0  0  0  0  0999 V2000
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 22 46  1  0  0  0  0
M  END

$$$$
D01JIO
  -OEChem-02041521332D

 62 67  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01JLO
  -OEChem-04152111362D

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M  END

$$$$
D01JNE
          11040900392D 1   1.00000     0.00000     0

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M  END

$$$$
D01KHW
  -OEChem-04152109562D

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118226  1  0  0  0  0
M  END

$$$$
D01KMR
  -OEChem-10101305032D

 35 35  0     0  0  0  0  0  0999 V2000
    4.3660    1.3476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 33  1  0  0  0  0
M  END

$$$$
D01KMW
  -OEChem-04152111202D

 58 62  0     1  0  0  0  0  0999 V2000
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  1 36  1  0  0  0  0
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  2 28  1  0  0  0  0
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 16  4  1  1  0  0  0
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 10 24  2  0  0  0  0
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 13 14  1  0  0  0  0
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 20 23  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  2  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
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 27 50  1  0  0  0  0
 28 29  2  0  0  0  0
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 29 51  1  0  0  0  0
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 33 35  2  0  0  0  0
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 34 36  2  0  0  0  0
 34 57  1  0  0  0  0
 35 36  1  0  0  0  0
 35 58  1  0  0  0  0
M  END

$$$$
D01KNY
  -OEChem-04152111332D

 25 26  0     0  0  0  0  0  0999 V2000
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    4.5981   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3580   -1.7847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 25  1  0  0  0  0
M  END

$$$$
D01KTG
  -OEChem-04152111282D

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M  END

$$$$
D01KYP
  -OEChem-03141904522D

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 39 71  1  0  0  0  0
 40 43  1  0  0  0  0
 41 42  1  0  0  0  0
 42 72  1  0  0  0  0
 43 73  1  0  0  0  0
M  END

$$$$
D01LCC
  -OEChem-10101305022D

 44 48  0     0  0  0  0  0  0999 V2000
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    9.8190    4.3851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8853    3.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7250    3.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9284    1.8755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4792   -4.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 44  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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 13 15  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END

$$$$
D01LVE
  -OEChem-04152111252D

 42 45  0     1  0  0  0  0  0999 V2000
    2.6475    3.7358    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.5960    1.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    0.1319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2511    0.7507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7840   -1.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -2.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D01LWO
  -OEChem-04152111292D

518526  0     1  0  0  0  0  0999 V2000
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   31.4739   11.5641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01LXD
  -OEChem-10121501042D

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M  END

$$$$
D01LYX
          01240501082D 1   1.00000     0.00000     0

 27 29  0     0  0            999 V2000
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 10  4  1  0     0  0
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 14  8  2  0     0  0
 15  8  1  0     0  0
 16  2  1  0     0  0
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 18 13  1  0     0  0
 19  6  1  0     0  0
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 23 25  1  0     0  0
 24 21  1  0     0  0
 25 24  1  0     0  0
 26 22  1  0     0  0
  3 27  1  6     0  0
 11  6  1  0     0  0
  2  5  1  0     0  0
  9 18  2  0     0  0
M  END

$$$$
D01MAU
  -OEChem-04152110122D

 29 31  0     1  0  0  0  0  0999 V2000
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 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
M  END

$$$$
D01MBV
  -OEChem-10101305022D

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 27 28  2  0  0  0  0
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 28 59  1  0  0  0  0
M  END

$$$$
D01MHI
          01230518572D 1   1.00000     0.00000     0

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

$$$$
D01MHL
  -OEChem-04152110432D

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 29 61  1  0  0  0  0
 30 32  1  0  0  0  0
M  END

$$$$
D01MPE
          01210517132D 1   1.00000     0.00000     0

 56 59  0     1  0            999 V2000
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 10  8  1  0     0  0
 11  8  1  0     0  0
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 13  8  1  0     0  0
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 47 26  1  0     0  0
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 54 49  2  0     0  0
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  1 56  1  6     0  0
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 44 40  1  0     0  0
 33 38  2  0     0  0
 23  9  1  0     0  0
 51 55  2  0     0  0
M  END

$$$$
D01MUU
  -OEChem-10121500492D

 62 64  0     1  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
M  END

$$$$
D01MUW
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   -4.2917   -2.9583    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.6000   -2.0125    0.0000 Na  0  3  0  0  0  0           0  0  0
   -5.6167   -2.1833    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2917   -4.4833    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.1667    3.6583    0.0000 C   0  0  0  0  0  0           0  0  0
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   -5.1667    0.5250    0.0000 C   0  0  0  0  0  0           0  0  0
   -6.9333   -2.9583    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.6167   -5.2792    0.0000 C   0  0  0  0  0  0           0  0  0
   -6.5042    2.8667    0.0000 C   0  0  0  0  0  0           0  0  0
   -6.5042    1.3167    0.0000 C   0  0  0  0  0  0           0  0  0
   -6.9333   -4.4833    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  4  3  1  1     0  0
  4  1  1  0     0  0
  6 16  1  0     0  0
  7  1  1  0     0  0
  8  5  1  0     0  0
  9  1  2  0     0  0
 10  2  2  0     0  0
 11  5  2  0     0  0
 12  6  2  0     0  0
 13  4  1  0     0  0
 14  2  1  0     0  0
 15  5  1  0     0  0
 16 13  1  0     0  0
 17  6  1  0     0  0
 18 14  1  0     0  0
 19 15  1  0     0  0
 22 19  1  0     0  0
 23 19  2  0     0  0
 24 18  1  0     0  0
 25 18  2  0     0  0
 26 25  1  0     0  0
 27 22  2  0     0  0
 28 23  1  0     0  0
 29 24  2  0     0  0
 30 29  1  0     0  0
 31 28  2  0     0  0
 30 26  2  0     0  0
 31 27  1  0     0  0
M  CHG  4   7  -1   8  -1  20   1  21   1
M  END

$$$$
D01MXK
  -OEChem-02061504262D

 63 67  0     1  0  0  0  0  0999 V2000
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   10.1830   -0.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  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  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 44  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 49  1  0  0  0  0
 15  5  1  6  0  0  0
  5 51  1  0  0  0  0
  5 52  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 56  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
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  8 35  1  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 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
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 13 16  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 45  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 23  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  2  0  0  0  0
 21 24  2  0  0  0  0
 21 50  1  0  0  0  0
 22 26  1  0  0  0  0
 22 28  2  0  0  0  0
 23 27  2  0  0  0  0
 23 53  1  0  0  0  0
 24 27  1  0  0  0  0
 24 29  1  0  0  0  0
 25 54  1  0  0  0  0
 26 30  2  0  0  0  0
 27 55  1  0  0  0  0
 28 31  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 32  1  0  0  0  0
 30 61  1  0  0  0  0
 31 32  2  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
M  END

$$$$
D01NCH
          01210517102D 1   1.00000     0.00000     0

 20 20  0     0  0            999 V2000
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    5.5917   -2.9250    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.2167   -1.8750    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.8417   -2.9250    0.0000 N   0  0  0  0  0  0           0  0  0
    4.9917   -4.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3750   -3.6375    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7250   -2.5792    0.0000 O   0  0  0  0  0  0           0  0  0
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    0.6375   -2.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3417   -2.9250    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  5  2  0     0  0
  5  2  1  0     0  0
  6  2  2  0     0  0
  7  3  2  0     0  0
  8  1  2  0     0  0
  9  3  1  0     0  0
 10  1  1  0     0  0
 11  6  1  0     0  0
 12 11  2  0     0  0
 13 17  1  0     0  0
 14 18  1  0     0  0
 15 10  1  0     0  0
 16  9  1  0     0  0
 17 15  1  0     0  0
 18 16  1  0     0  0
 19 14  1  0     0  0
 20 13  1  0     0  0
 12  4  1  0     0  0
M  END

$$$$
D01NEC
  -OEChem-10191523082D

 44 46  0     1  0  0  0  0  0999 V2000
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  1 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 23  1  0  0  0  0
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 11  7  1  6  0  0  0
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 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END

$$$$
D01NIR
  -OEChem-10121501462D

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    4.0981    6.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -6.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -6.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -7.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.2061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592   -0.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -0.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    6.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
  2 27  1  0  0  0  0
  3 27  1  0  0  0  0
  4 23  2  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  5 28  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  6 43  1  0  0  0  0
  7 20  1  0  0  0  0
  7 32  1  0  0  0  0
  7 49  1  0  0  0  0
  8 28  2  0  0  0  0
  8 29  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  2  0  0  0  0
 10 32  2  0  0  0  0
 10 35  1  0  0  0  0
 11 36  2  0  0  0  0
 11 38  1  0  0  0  0
 12 37  2  0  0  0  0
 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  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 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 30  1  0  0  0  0
 22 44  1  0  0  0  0
 24 29  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 31  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
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
 36 37  1  0  0  0  0
 37 58  1  0  0  0  0
 38 39  2  0  0  0  0
 38 59  1  0  0  0  0
 39 60  1  0  0  0  0
M  END

$$$$
D01NTH
          01210517102D 1   1.00000     0.00000     0

 25 23  0     0  0            999 V2000
    4.2792   -4.5875    0.0000 P   0  5  0  0  0  0           0  0  0
    3.6667   -4.9375    0.0000 F   0  0  0  0  0  0           0  0  0
    3.6667   -4.2250    0.0000 F   0  0  0  0  0  0           0  0  0
    4.8917   -4.2292    0.0000 F   0  0  0  0  0  0           0  0  0
    4.8917   -4.9375    0.0000 F   0  0  0  0  0  0           0  0  0
    4.2792   -3.8792    0.0000 F   0  0  0  0  0  0           0  0  0
    4.2792   -5.2917    0.0000 F   0  0  0  0  0  0           0  0  0
    2.4417   -2.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8417   -3.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7917   -4.8917    0.0000 Ru  0  3  0  0  0  0           0  0  0
    0.1792   -5.2500    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.1917   -5.2167    0.0000 N   0  0  0  0  0  0           0  0  0
    0.9917   -5.9542    0.0000 N   0  0  0  0  0  0           0  0  0
    2.4417   -1.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2292   -2.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8417   -3.7125    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.6750   -1.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6167   -3.7125    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  1  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  9  8  1  0     0  0
 11 10  1  0     0  0
 13 18  1  0     0  0
 14  8  1  0     0  0
 15  9  2  0     0  0
 16  9  1  0     0  0
 17  8  2  0     0  0
 18 19  1  0     0  0
 19 12  1  0     0  0
 20 16  2  0     0  0
 21 15  1  0     0  0
 22 17  1  0     0  0
 23 14  2  0     0  0
 24 22  2  0     0  0
 25 20  1  0     0  0
 24 23  1  0     0  0
 21 25  2  0     0  0
M  CHG  2   1  -1  10   1
M  END

$$$$
D01NUR
  -OEChem-03141904512D

 81 85  0     1  0  0  0  0  0999 V2000
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 37 39  2  0  0  0  0
 37 80  1  0  0  0  0
 38 39  1  0  0  0  0
 38 81  1  0  0  0  0
M  END

$$$$
D01ODU
          05170600252D 1   1.00000     0.00000     0

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

$$$$
D01OXH
  -OEChem-04152111112D

 61 63  0     1  0  0  0  0  0999 V2000
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 38 58  1  0  0  0  0
 38 59  1  0  0  0  0
 38 60  1  0  0  0  0
M  END

$$$$
D01PBW
  -OEChem-04152111282D

 64 67  0     0  0  0  0  0  0999 V2000
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 18 48  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
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 25 51  1  0  0  0  0
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 26 28  2  0  0  0  0
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 28 32  1  0  0  0  0
 28 55  1  0  0  0  0
 29 33  2  0  0  0  0
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 30 35  1  0  0  0  0
 30 57  1  0  0  0  0
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 36 61  1  0  0  0  0
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 37 62  1  0  0  0  0
 38 39  1  0  0  0  0
 38 63  1  0  0  0  0
 39 64  1  0  0  0  0
M  END

$$$$
D01PGJ
          07071101162D 1   1.00000     0.00000     0

 19 18  0     0  0            999 V2000
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    4.3933   -9.8017    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.5948   -8.5968    0.0000 C   0  0  2  0  0  0           0  0  0
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   -0.2300   -8.9662    0.0000 C   0  0  0  0  0  0           0  0  0
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    9.6375   -8.7375    0.0000 Br  0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  6  1  2  0     0  0
  9  8  1  0     0  0
 10  9  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 12  8  1  0     0  0
  9 13  2  0     0  0
 15 14  2  0     0  0
 16 14  1  0     0  0
 12 14  1  6     0  0
 10 17  1  0     0  0
 10  7  1  1     0  0
  6  7  1  0     0  0
M  CHG  2   6   1  18  -1
M  END

$$$$
D01PGR
  -OEChem-04152110352D

 34 36  0     0  0  0  0  0  0999 V2000
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  1 11  2  0  0  0  0
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 17 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D01PKG
  -OEChem-10101305032D

 68 70  0     1  0  0  0  0  0999 V2000
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$$$$
D01PLR
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$$$$
D01PVV
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$$$$
D01QNR
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 30 32  2  0  0  0  0
 30 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END

$$$$
D01QSG
  -OEChem-04152110432D

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 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
M  END

$$$$
D01QSO
  -OEChem-10191522572D

 50 53  0     0  0  0  0  0  0999 V2000
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  5 21  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 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  8 16  2  0  0  0  0
  8 19  1  0  0  0  0
  9 19  2  0  0  0  0
  9 23  1  0  0  0  0
 10 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 29  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  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 21  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 22  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
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 42  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 24  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 28  1  0  0  0  0
 26 47  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D01QXY
  -OEChem-10101305032D

 48 49  0     0  0  0  0  0  0999 V2000
    7.1962    3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4400    0.0000 O   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
    3.7320    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5600    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
    2.8660    0.0600    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
    6.3301    3.0600    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
    4.5981    5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0600    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
    4.5981   -0.9400    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
    2.0000    0.5600    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
    2.8660   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    5.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    4.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    4.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    5.5969    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
    2.3291   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    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
    1.4631    0.8700    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
    5.7741    0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 45  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 48  1  0  0  0  0
  4 24  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  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
  7 27  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 13  2  0  0  0  0
 10 28  1  0  0  0  0
 11 18  1  0  0  0  0
 11 21  1  0  0  0  0
 12 19  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  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
 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 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
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  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
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D01RAN
  -OEChem-04152110402D

 27 28  0     1  0  0  0  0  0999 V2000
    3.6473   -1.7566    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.1642    1.7588    0.0000 O   0  0  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
    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
    2.6691   -1.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601   -2.9155    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
    1.7705   -2.7239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1685   -3.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9498   -3.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  1 15  1  0  0  0  0
  2 10  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
  4  8  1  0  0  0  0
 12  4  1  6  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  1  0  0  0
 10 12  1  0  0  0  0
 10 18  1  1  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 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 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  CHG  2   6  -1   8   1
M  END

$$$$
D01RBP
  -OEChem-03141904542D

 63 63  0     1  0  0  0  0  0999 V2000
   10.0000   -0.8481    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.5000    0.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    2.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1340   -1.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -1.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7321    2.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5981    0.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660   -0.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    1.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5000    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1340    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8660    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660    0.6519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5000    3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7321    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1340   -2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -2.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2680   -2.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -3.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2680   -3.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1340   -4.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5981    2.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9174   -0.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6077   -0.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8240    0.9209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5970    0.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4440   -0.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1760    0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4030    1.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5560    1.9209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6900    3.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    3.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4030   -0.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    2.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077    2.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3291    0.3419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    3.6941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3100    1.6889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4631    1.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5369   -2.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7310   -2.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369   -4.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9081    2.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    2.9619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2881    3.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.7281    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  2  0  0  0  0
  1 12  1  0  0  0  0
  2 15  1  0  0  0  0
 14  3  1  6  0  0  0
  3 42  1  0  0  0  0
  4 24  1  0  0  0  0
  5 18  2  0  0  0  0
  7 23  1  0  0  0  0
  7 31  1  0  0  0  0
  8 23  2  0  0  0  0
  9 25  1  0  0  0  0
  9 32  1  0  0  0  0
 10 25  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 43  1  0  0  0  0
 20 12  1  1  0  0  0
 12 44  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
 14 18  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
 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
 19 21  1  0  0  0  0
 19 45  1  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
 20 47  1  0  0  0  0
 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
 22 52  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 53  1  0  0  0  0
 27 29  2  0  0  0  0
 27 54  1  0  0  0  0
 28 30  2  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  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
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
M  END

$$$$
D01RBR
  -OEChem-04152110552D

 29 28  0     1  0  0  0  0  0999 V2000
    5.4641   -0.2685    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.9641    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2741    1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8885    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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 24  1  0  0  0  0
  4 10  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 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 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 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END

$$$$
D01REE
  -OEChem-08301509472D

 32 30  0     0  0  0  0  0  0999 V2000
    4.0010    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.6200    0.0000 N   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    1.6200    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
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680    5.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    5.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    1.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    1.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.6569    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
    0.2269    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.6200    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
    2.0230    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2891    1.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9091    2.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7580    6.5039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7580    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3780    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3780    6.5039    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  8  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
  4  5  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 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 10  1  0  0  0  0
  9 11  2  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
 12 13  2  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
M  END

$$$$
D01RQN
  -OEChem-04152110582D

 46 47  0     1  0  0  0  0  0999 V2000
    3.4013    3.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855    0.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503   -0.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -4.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.1897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8913    0.3981    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2733    0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    1.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    3.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -3.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2257    4.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0045    3.2929    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 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 34  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5 19  1  0  0  0  0
  5 23  1  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  8  1  0  0  0  0
  7  9  1  0  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 12  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 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
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  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 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 41  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

$$$$
D01RRF
          08180812482D 1   1.00000     0.00000     0

 29 32  0     0  0            999 V2000
    4.7500   -3.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9667   -3.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9708   -4.5875    0.0000 N   0  0  3  0  0  0           0  0  0
    4.7583   -4.8375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2417   -4.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0000   -2.7167    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.8042   -2.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0583   -1.7542    0.0000 N   0  0  0  0  0  0           0  0  0
    7.1875   -0.8250    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1875   -1.7125    0.0000 N   0  0  0  0  0  0           0  0  0
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    8.0083   -0.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2500   -5.0042    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2458   -6.2875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2500   -3.3500    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.5583   -0.2875    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  5  2  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  9  1  0     0  0
  8  6  1  0     0  0
  9  8  1  0     0  0
 10  7  2  0     0  0
 11 12  1  0     0  0
 12  7  1  0     0  0
 13 16  3  0     0  0
 14 10  1  0     0  0
 15  3  1  0     0  0
 16 23  1  0     0  0
 17  2  1  0     0  0
 18  4  1  0     0  0
 19  8  2  0     0  0
 20  6  2  0     0  0
 21 15  2  0     0  0
 22 17  2  0     0  0
 23 26  1  0     0  0
 24 18  1  0     0  0
 25 27  1  0     0  0
 26 28  2  0     0  0
 27 24  2  0     0  0
 28 24  1  0     0  0
 29 14  1  0     0  0
  4  3  1  0     0  0
 21 22  1  0     0  0
 14 11  2  0     0  0
 23 25  2  0     0  0
M  END

$$$$
D01RVA
          01210517112D 1   1.00000     0.00000     0

 22 23  0     0  0            999 V2000
    2.1000   -1.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7167   -2.0792    0.0000 C   0  0  0  0  0  0           0  0  0
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M  END

$$$$
D01RXW
  -OEChem-10101305022D

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M  END

$$$$
D01SHJ
  -OEChem-03141904462D

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 31 50  1  0  0  0  0
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M  END

$$$$
D01SJS
  Marvin  10201522242D          

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M  END

$$$$
D01SJT
  -OEChem-04152109552D

 55 58  0     1  0  0  0  0  0999 V2000
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 34 55  1  0  0  0  0
M  END

$$$$
D01SKR
  -OEChem-10101305032D

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 14 23  1  0  0  0  0
M  END

$$$$
D01SNZ
  -OEChem-03141904522D

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M  END

$$$$
D01SPD
  -OEChem-04152110422D

 37 39  0     0  0  0  0  0  0999 V2000
    7.9673    1.2546    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   1   1   3  -1
M  END

$$$$
D01SPJ
  -OEChem-04152122312D

852916  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01SQI
          07310700362D 1   1.00000     0.00000     0

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M  END

$$$$
D01SYU
  -OEChem-10101305022D

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M  END

$$$$
D01SZA
          01240800312D 1   1.00000     0.00000     0

 24 27  0     0  0            999 V2000
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 22  7  2  0     0  0
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M  END

$$$$
D01TBJ
  -OEChem-04152111232D

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M  END

$$$$
D01TEA
  -OEChem-04152122282D

129131  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01TJM
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 18 10  1  0     0  0
132136  1  0     0  0
M  END

$$$$
D01TJY
  -OEChem-04152111242D

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 42 78  1  0  0  0  0
 42 79  1  0  0  0  0
M  END

$$$$
D01TMQ
  -OEChem-10101305022D

 34 34  0     1  0  0  0  0  0999 V2000
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 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D01UBY
  -OEChem-04152122312D

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 31 32  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END

$$$$
D01UDS
  -OEChem-04152111202D

 49 51  0     1  0  0  0  0  0999 V2000
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 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D01UGG
  -OEChem-04152110332D

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 15  1  1  6  0  0  0
 20  1  1  1  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
 17  3  1  6  0  0  0
 26  3  1  6  0  0  0
  4 26  1  0  0  0  0
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 16  5  1  6  0  0  0
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 19  6  1  6  0  0  0
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 29  7  1  1  0  0  0
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 28 14  1  1  0  0  0
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 30 37  1  1  0  0  0
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 31 35  2  0  0  0  0
 32 38  1  0  0  0  0
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 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 69  1  0  0  0  0
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 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
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 40 42  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 42 44  2  0  0  0  0
 43 45  1  0  0  0  0
 43 79  1  0  0  0  0
 44 46  1  0  0  0  0
 44 80  1  0  0  0  0
 45 46  2  0  0  0  0
 45 82  1  0  0  0  0
 46 83  1  0  0  0  0
M  END

$$$$
D01UMT
  -OEChem-10101305032D

 46 50  0     0  0  0  0  0  0999 V2000
    5.1346    1.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4816    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.7864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7238    2.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9816    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726    1.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806    0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0112   -0.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4780   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1346    1.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6743    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8362    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -2.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262   -1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8310    1.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4160    1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5332    2.9816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3688   -0.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355   -1.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3168   -1.5777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0852    2.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0328    1.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 20  2  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 24  1  0  0  0  0
  6 16  1  0  0  0  0
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  6 27  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 34  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  2  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
 15 16  1  0  0  0  0
 15 23  2  0  0  0  0
 16 25  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 21 28  2  0  0  0  0
 21 33  1  0  0  0  0
 22 26  2  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
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 30  1  0  0  0  0
 25 40  1  0  0  0  0
 26 28  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 30  2  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  CHG  2   3  -1   8   1
M  END

$$$$
D01UXJ
  -OEChem-10121501392D

 43 44  0     0  0  0  0  0  0999 V2000
    3.7320   -0.9297    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.9297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.9297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954    4.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1819    5.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -5.4297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5942    5.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9230    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7965    3.3965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    5.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9298    6.4297    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  9  1  0  0  0  0
  4 24  2  0  0  0  0
  5  8  1  0  0  0  0
  5 43  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 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 24  1  0  0  0  0
  8 42  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 15  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 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  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 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 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
 22 23  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
M  END

$$$$
D01UXW
  -OEChem-10101305032D

 60 65  0     1  0  0  0  0  0999 V2000
    4.5004    1.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -2.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -3.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4296    0.8939    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.9587    1.3695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7823    0.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6060    1.3695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5082    2.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9587    2.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6060    2.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9587   -0.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7823    3.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -2.0572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -3.0572    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -3.5572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -3.0572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -3.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3287    0.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3186    0.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8974    0.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9485    2.3337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7679    2.6799    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 22  1  0  0  0  0
 19  2  1  6  0  0  0
 28  2  1  6  0  0  0
  3 26  1  0  0  0  0
  3 54  1  0  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
 29  5  1  1  0  0  0
  5 57  1  0  0  0  0
 30  6  1  6  0  0  0
  6 58  1  0  0  0  0
 31  7  1  1  0  0  0
  7 59  1  0  0  0  0
  8 33  1  0  0  0  0
  8 60  1  0  0  0  0
  9 33  2  0  0  0  0
 10 14  1  0  0  0  0
 10 18  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 15  1  1  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 12 34  1  1  0  0  0
 13 19  1  0  0  0  0
 13 35  1  1  0  0  0
 14 17  1  0  0  0  0
 14 36  1  6  0  0  0
 15 18  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 20  2  0  0  0  0
 16 22  1  0  0  0  0
 17 20  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 23  1  0  0  0  0
 19 43  1  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 26  2  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 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  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 30  1  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
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  6  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D01VAP
          01280517592D 1   1.00000     0.00000     0

 40 42  0     1  0            999 V2000
    0.6750   -2.1750    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9250   -2.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2917   -2.5375    0.0000 C   0  0  1  0  0  0           0  0  0
    0.6667   -1.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9167   -1.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2875   -1.0792    0.0000 N   0  0  0  0  0  0           0  0  0
    2.5292   -4.6625    0.0000 N   0  3  0  0  0  0           0  0  0
    1.2917   -3.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0625   -2.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5167   -2.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9167   -4.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9125   -3.5875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1500   -4.2917    0.0000 O   0  5  0  0  0  0           0  0  0
    2.5375   -5.3625    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5167   -3.1542    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0667   -3.2667    0.0000 O   0  0  0  0  0  0           0  0  0
    8.7375   -2.5917    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5208   -2.1625    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1042   -2.2417    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5167   -1.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0542   -1.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4792   -2.5542    0.0000 C   0  0  1  0  0  0           0  0  0
    8.1292   -2.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2542   -2.5625    0.0000 N   0  0  0  0  0  0           0  0  0
    0.6625   -3.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3542   -2.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4792   -3.2792    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3042   -4.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6667   -4.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8625   -2.2167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5917   -2.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7417   -2.5542    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1708   -2.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9667   -2.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3625   -1.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0000   -2.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3750   -2.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9792   -1.1750    0.0000 C   0  0  0  0  0  0           0  0  0
   10.5917   -2.2500    0.0000 C   0  0  0  0  0  0           0  0  0
   10.5917   -1.5375    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  6  1  0     0  0
  6  4  1  0     0  0
  7 11  1  0     0  0
  3  8  1  1     0  0
  9  1  1  0     0  0
 10  2  1  0     0  0
 11 12  2  0     0  0
 12  8  1  0     0  0
 13  7  1  0     0  0
 14  7  2  0     0  0
 15 10  2  0     0  0
 16  9  2  0     0  0
 17 23  1  0     0  0
 18  9  1  0     0  0
 19 10  1  0     0  0
 20  5  1  0     0  0
 21  4  1  0     0  0
 22 30  1  0     0  0
 23 22  1  0     0  0
 24 31  1  0     0  0
 25  8  2  0     0  0
 26 17  1  0     0  0
 22 27  1  1     0  0
 28 29  2  0     0  0
 29 25  1  0     0  0
 30 24  1  0     0  0
 31 36  1  0     0  0
 32 19  1  0     0  0
 33 18  1  0     0  0
 34 26  1  0     0  0
 35 26  2  0     0  0
 36 37  1  0     0  0
 37 32  1  0     0  0
 38 35  1  0     0  0
 39 34  2  0     0  0
 40 38  2  0     0  0
  5  2  2  0     0  0
 28 11  1  0     0  0
 39 40  1  0     0  0
M  CHG  2   7   1  13  -1
M  END

$$$$
D01VNT
  -OEChem-04152110532D

 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
    5.3794   -1.9511    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  3  0  0  0  0  0  0  0  0  0
    4.5133   -1.4511    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3370   -0.9755    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.4511    0.0000 C   0  0  3  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
    6.8418   -2.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.0000    2.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8739   -0.6655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2705   -1.6235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760    0.3266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6795   -0.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7254   -2.9848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239   -2.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9476   -0.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490    0.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840   -0.0943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4989    0.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -3.3526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2641   -2.6371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200    2.9021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  7  1  0  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  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
  8 24  1  0  0  0  0
  9 17  1  0  0  0  0
  9 25  1  0  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

$$$$
D01WBD
          03231000382D 1   1.00000     0.00000     0

 29 30  0     1  0            999 V2000
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  8 11  1  0     0  0
 10 12  1  0     0  0
M  END

$$$$
D01WKE
          01040800122D 1   1.00000     0.00000     0

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 53 50  1  0     0  0
 54 53  1  0     0  0
 29 12  1  0     0  0
  9 16  2  0     0  0
M  END

$$$$
D01WKZ
  -OEChem-03141904462D

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 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D01WYT
  -OEChem-10101305022D

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M  END

$$$$
D01WZG
  -OEChem-10191523012D

 18 17  0     0  0  0  0  0  0999 V2000
    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    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 18  1  0  0  0  0
  2  9  2  0  0  0  0
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  7 14  1  0  0  0  0
M  END

$$$$
D01XFZ
  -OEChem-04152111032D

 43 47  0     0  0  0  0  0  0999 V2000
    7.0584   -1.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 17  2  0  0  0  0
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 18 34  1  0  0  0  0
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 22 26  2  0  0  0  0
 22 38  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END

$$$$
D01XHG
  -OEChem-10101305022D

 47 48  0     0  0  0  0  0  0999 V2000
    4.5981   -0.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0994    1.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  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

$$$$
D01XPY
  -OEChem-10191522192D

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M  END

$$$$
D01XUE
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01XVX
  -OEChem-04152109352D

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 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END

$$$$
D01YIF
  -OEChem-04152109322D

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 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D01YIO
  -OEChem-10121500532D

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 47 49  2  0  0  0  0
 47 81  1  0  0  0  0
 48 83  1  0  0  0  0
 49 84  1  0  0  0  0
M  END

$$$$
D01YKI
  -OEChem-04152109562D

 56 59  0     1  0  0  0  0  0999 V2000
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 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

$$$$
D01YVZ
  -OEChem-10101305022D

 60 61  0     1  0  0  0  0  0999 V2000
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 24  4  1  1  0  0  0
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 25  9  1  6  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 27  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 28  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 51  1  0  0  0  0
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 27 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

$$$$
D01ZAQ
  -OEChem-10121501442D

 55 58  0     1  0  0  0  0  0999 V2000
    2.0000    1.9956    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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D01ZBF
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M  END

$$$$
D01ZLU
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  9 41  1  0  0  0  0
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 15 18  1  0  0  0  0
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 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  3  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 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  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

$$$$
D01ZMS
  -OEChem-02041521112D

 38 40  0     1  0  0  0  0  0999 V2000
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    3.7601   -4.9244    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6457    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2601    4.6144    0.0000 O   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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  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  1  0  0  0
 10 15  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
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
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 16 32  1  0  0  0  0
 17 21  2  0  0  0  0
 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 22  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
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D01ZNH
  -OEChem-02041520392D

 29 30  0     1  0  0  0  0  0999 V2000
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  1 29  1  0  0  0  0
  2  6  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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  4 22  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
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  6 17  1  0  0  0  0
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 10 23  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
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 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D01ZNQ
  -OEChem-04152111242D

105111  0     1  0  0  0  0  0999 V2000
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 50103  1  0  0  0  0
 51 52  1  0  0  0  0
 51104  1  0  0  0  0
 52105  1  0  0  0  0
M  END

$$$$
D01ZOB
  -OEChem-10121500392D

 53 56  0     1  0  0  0  0  0999 V2000
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 25 51  1  0  0  0  0
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 25 53  1  0  0  0  0
M  END

$$$$
D01ZUV
  -OEChem-04152111252D

 43 46  0     0  0  0  0  0  0999 V2000
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 23 43  1  0  0  0  0
M  END

$$$$
D02AAO
  -OEChem-10121501442D

 69 72  0     1  0  0  0  0  0999 V2000
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 29 59  1  0  0  0  0
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 30 32  2  0  0  0  0
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 31 63  1  0  0  0  0
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 33 35  2  0  0  0  0
 33 64  1  0  0  0  0
 34 35  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
M  END

$$$$
D02ABO
  -OEChem-10101305022D

 32 34  0     1  0  0  0  0  0999 V2000
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    5.1350    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 12  1  0  0  0  0
  3 30  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  1  1  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 15  1  0  0  0  0
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 11 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D02ADC
          01210517112D 1   1.00000     0.00000     0

 31 33  0     1  0            999 V2000
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    2.8042   -2.0417    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.4750   -1.8167    0.0000 N   0  0  3  0  0  0           0  0  0
    4.6000   -2.3875    0.0000 N   0  0  0  0  0  0           0  0  0
    5.6625   -3.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9667   -3.1000    0.0000 O   0  0  0  0  0  0           0  0  0
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  2  1  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  5  6  1  0     0  0
  6  4  1  0     0  0
  7  3  2  0     0  0
  8  2  1  0     0  0
  9  2  1  0     0  0
 10  7  1  0     0  0
 11 16  1  0     0  0
 12  6  2  0     0  0
 13  8  2  0     0  0
 14 11  1  0     0  0
 15 14  2  0     0  0
 16 10  1  0     0  0
 17 21  2  0     0  0
 18 11  2  0     0  0
 19  4  1  0     0  0
 20  5  1  0     0  0
 21 18  1  0     0  0
 22  9  1  0     0  0
 23 15  1  0     0  0
 24 17  1  0     0  0
 25 26  1  0     0  0
 16 26  1  6     0  0
 27 28  1  0     0  0
 28 22  1  0     0  0
 29 23  1  0     0  0
 30 24  1  0     0  0
 31 27  1  0     0  0
  7  9  1  0     0  0
  8  5  1  0     0  0
 15 17  1  0     0  0
M  END

$$$$
D02ADM
  -OEChem-03141904522D

 57 61  0     1  0  0  0  0  0999 V2000
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   10.4722   -1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2081   -2.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    2.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7965   -0.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7888    1.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3324   -0.2767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3363   -1.2767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9343    0.2305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1965    0.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9285    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9247    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6606    0.2400    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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  2 17  1  0  0  0  0
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  3 25  1  0  0  0  0
 15  4  1  6  0  0  0
  4 48  1  0  0  0  0
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 10 34  1  0  0  0  0
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 13 14  1  1  0  0  0
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 15 22  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 23  1  0  0  0  0
 18 26  2  0  0  0  0
 18 27  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
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 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  2  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
 29 32  1  0  0  0  0
 29 47  1  0  0  0  0
 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

$$$$
D02AIM
  -OEChem-10121501332D

 27 28  0     0  0  0  0  0  0999 V2000
    6.0010    2.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.6550    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   -0.8450    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
    3.4030    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    2.1550    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
    4.2690   -2.3450    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
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  1 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  2  0  0  0  0
  4 10  2  0  0  0  0
  4 16  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 16  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  9  2  0  0  0  0
  7 10  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
 11 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  2  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
 13 22  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D02AIN
  -OEChem-04152111322D

 59 63  0     1  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
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 22 28  2  0  0  0  0
 22 46  1  0  0  0  0
 23 25  1  0  0  0  0
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 23 48  1  0  0  0  0
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 25 50  1  0  0  0  0
 25 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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
M  END

$$$$
D02ALZ
  -OEChem-02041521332D

 37 38  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02AMG
          05010800072D 1   1.00000     0.00000     0

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 13 15  2  0     0  0
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 29 30  1  0     0  0
 60 61  1  0     0  0
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 30 31  1  0     0  0
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 31 33  1  0     0  0
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 31 35  1  6     0  0
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 28 36  1  1     0  0
 72 73  3  0     0  0
 18 19  1  0     0  0
 73 74  1  0     0  0
 74 36  1  0     0  0
M  END

$$$$
D02AOD
          06120800062D 1   1.00000     0.00000     0

 26 29  0     1  0            999 V2000
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  1 23  1  6     0  0
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  7 26  1  6     0  0
M  END

$$$$
D02AUB
  -OEChem-10101305032D

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M  END

$$$$
D02BAW
  -OEChem-04152111352D

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$$$$
D02BBC
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$$$$
D02BLD
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  5 24  1  0  0  0  0
  5 31  1  0  0  0  0
  6 25  2  0  0  0  0
  7 30  1  0  0  0  0
  7 34  1  0  0  0  0
  8 32  2  0  0  0  0
 16  9  1  6  0  0  0
  9 20  1  0  0  0  0
  9 46  1  0  0  0  0
 21 10  1  1  0  0  0
 10 25  1  0  0  0  0
 10 52  1  0  0  0  0
 26 11  1  6  0  0  0
 11 32  1  0  0  0  0
 11 59  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  6  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  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
 17 43  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 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  1  0  0  0  0
 21 47  1  0  0  0  0
 22 27  1  0  0  0  0
 22 48  1  0  0  0  0
 23 28  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 26  1  0  0  0  0
 26 30  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  2  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
 29 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
 32 33  1  0  0  0  0
 33 35  2  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 37  1  0  0  0  0
 37 67  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
M  END

$$$$
D02BQE
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    4.5981    0.6029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.4689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.2631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.0924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8977   -4.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -3.6524    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
    2.0000    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -0.5031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.0871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.7071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800   -1.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4129    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 16  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 15  1  0  0  0  0
  5 26  1  0  0  0  0
  6 21  3  0  0  0  0
  7 24  3  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 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 21  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 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  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 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  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

$$$$
D02BRJ
          07011101572D 1   1.00000     0.00000     0

 19 22  0     1  0            999 V2000
   -0.7980    0.3709    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.7609    1.0756    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1401    1.4711    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2809   -0.1239    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5385    1.2539    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4250   -0.0229    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7867    0.5873    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.4139    2.1417    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1659    2.1454    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8021    2.4962    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4125    1.4312    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4132    0.0187    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0254    0.3734    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.0251    1.0779    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.6951    1.2959    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1094    0.7261    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6955    0.1560    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0333    1.7875    0.0000 H   0  0  0  0  0  0           0  0  0
   -2.0333   -0.3333    0.0000 H   0  0  0  0  0  0           0  0  0
  3  5  1  0     0  0
  9 10  2  0     0  0
 10  8  1  0     0  0
  2 11  1  0     0  0
  2  3  2  0     0  0
  4  6  1  0     0  0
 11 14  1  0     0  0
 13 12  1  0     0  0
 12  1  1  0     0  0
 13 14  1  0     0  0
  1  2  1  0     0  0
  5  7  1  0     0  0
  6  7  1  0     0  0
  1  4  1  0     0  0
  8 11  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 13  1  0     0  0
 14 18  1  1     0  0
  3  9  1  0     0  0
 13 19  1  1     0  0
M  END

$$$$
D02BVW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.426   1.808   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.426   0.983   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.712   0.570   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.998   0.983   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.998   1.808   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.712   2.220   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.141   2.220   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.855   1.808   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.855   0.983   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.141   0.570   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.283   0.570   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.283  -0.255   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.569  -0.667   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.854  -0.255   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.854   0.570   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.569   0.983   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.569   1.808   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.140   0.983   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.575   0.570   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.289   0.983   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.004   0.570   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.718   0.983   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.718   1.808   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.004   2.220   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.289   1.808   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.433   0.570   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.433  -0.255   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.718  -0.667   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.433   2.220   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.147   1.808   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.004  -0.255   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.289  -0.667   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.289  -1.492   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.004  -1.905   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.718  -1.492   0.000  1.00  0.00           C  
HETATM   36 CL   UNL     1       0.575   2.220   0.000  1.00  0.00          Cl  
HETATM   37  C   UNL     1       4.233   0.987   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.040   0.816   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.453   1.530   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.901   2.143   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1       5.376   0.062   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       2.003  -2.727   0.000  1.00  0.00           C  
HETATM   43  N   UNL     1       1.178  -2.727   0.000  1.00  0.00           N  
HETATM   44  C   UNL     1       5.272   2.727   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1       5.855   2.144   0.000  1.00  0.00           O  
HETATM   46  O   UNL     1       4.487   2.472   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    4   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   20   36                                            
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   31   35                                            
CONECT   29   23   30                                                 
CONECT   30   29   37   40                                            
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   42                                            
CONECT   35   34   28                                                 
CONECT   36   25                                                      
CONECT   37   30   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   30   44                                            
CONECT   41   38                                                      
CONECT   42   34   43                                                 
CONECT   43   42                                                      
CONECT   44   40   45   46                                            
CONECT   45   44                                                      
CONECT   46   44                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D02BYZ
  -OEChem-04152111282D

 83 87  0     1  0  0  0  0  0999 V2000
    6.8671   -1.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9494   -4.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    5.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    6.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -4.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    6.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    6.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.4648    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580   -3.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6761   -3.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   -4.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548   -4.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5481   -5.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 79  1  0  0  0  0
 40 80  1  0  0  0  0
 40 81  1  0  0  0  0
M  END

$$$$
D02COS
          01280518002D 1   1.00000     0.00000     0

 89 92  0     0  0            999 V2000
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   -0.4500   -2.6667    0.0000 C   0  0  0  0  0  0           0  0  0
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 89 61  1  0     0  0
 17 24  2  0     0  0
  5  6  1  0     0  0
 12 16  2  0     0  0
 10 13  1  0     0  0
 21 30  2  0     0  0
M  CHG  2  23  -1  29   1
M  END

$$$$
D02CZF
          02190900272D 1   1.00000     0.00000     0

 30 33  0     1  0            999 V2000
   -5.6209   -0.6750    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2458   -0.0167    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.8625   -0.6750    0.0000 C   0  0  3  0  0  0           0  0  0
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 17 20  1  0     0  0
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 27 26  2  0     0  0
 28 29  1  0     0  0
 26 28  1  0     0  0
  7 26  1  1     0  0
 11 30  1  0     0  0
M  END

$$$$
D02CZK
  -OEChem-10101305022D

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 32 60  1  0  0  0  0
M  END

$$$$
D02DEH
  -OEChem-04152111042D

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 54100  1  0  0  0  0
 55 56  1  0  0  0  0
 55101  1  0  0  0  0
 56103  1  0  0  0  0
M  END

$$$$
D02DLP
  -OEChem-04152109332D

 58 59  0     1  0  0  0  0  0999 V2000
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 13  8  1  1  0  0  0
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 23 48  1  0  0  0  0
 24 27  1  0  0  0  0
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 25 29  1  0  0  0  0
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 26 50  1  0  0  0  0
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 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
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D02DMW
          01210517092D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
    4.9042   -0.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6792   -0.4167    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.4792    0.0000    0.0000 N   0  0  0  0  0  0           0  0  0
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  2  5  2  0     0  0
  3  8  1  0     0  0
  4  1  1  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7  1  2  0     0  0
  8  2  1  0     0  0
  9  6  1  0     0  0
 10  3  2  0     0  0
 11  7  1  0     0  0
 12  4  2  0     0  0
 13 10  1  0     0  0
 14  8  2  0     0  0
 15  9  1  0     0  0
 16  5  1  0     0  0
 17 15  1  0     0  0
 18 21  1  0     0  0
 19 18  1  0     0  0
 20 22  1  0     0  0
 21 23  2  0     0  0
 22 17  2  0     0  0
 23 17  1  0     0  0
 11 12  1  0     0  0
  9 13  2  0     0  0
 20 18  2  0     0  0
M  END

$$$$
D02DTQ
          04061100072D 1   1.00000     0.00000     0

 19 21  0     1  0            999 V2000
   -2.0603    0.1328    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.3019   -1.1744    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
  3  2  2  0     0  0
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  6  1  2  0     0  0
  1  7  1  0     0  0
  3  8  1  0     0  0
 10  9  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 13  9  1  0     0  0
 14 15  1  0     0  0
 11 14  1  6     0  0
  5  9  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
 17 19  1  0     0  0
 16 17  1  0     0  0
  8 16  1  0     0  0
M  END

$$$$
D02DWK
  -OEChem-04152109472D

 55 54  0     1  0  0  0  0  0999 V2000
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 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
M  END

$$$$
D02DYU
          06281101002D 1   1.00000     0.00000     0

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 10 14  1  0     0  0
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 12 20  1  0     0  0
 13 21  1  0     0  0
 13 22  2  0     0  0
  7  9  1  0     0  0
  8 10  2  0     0  0
M  END

$$$$
D02ECG
          09150900142D 1   1.00000     0.00000     0

  7  5  0     0  0            999 V2000
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   -2.8208   -0.3333    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  2  0     0  0
  7  2  1  0     0  0
M  CHG  2   3  -1   6   1
M  END

$$$$
D02EEJ
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212212  0     1  0  0  0  0  0999 V2000
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 89202  1  0  0  0  0
 89203  1  0  0  0  0
 89204  1  0  0  0  0
 90205  1  0  0  0  0
 90206  1  0  0  0  0
 91209  1  0  0  0  0
 91210  1  0  0  0  0
 91212  1  0  0  0  0
 92207  1  0  0  0  0
 92208  1  0  0  0  0
 92211  1  0  0  0  0
M  END

$$$$
D02ELS
  -OEChem-04152121562D

 17 16  0     1  0  0  0  0  0999 V2000
    2.5369   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0950    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
    6.0010   -0.0950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0950    0.0000 C   0  0  1  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
    3.4030    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
    5.5335    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.8799    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    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  8  5  1  6  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  9  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
M  CHG  2   3  -1   6   1
M  END

$$$$
D02ENG
  -OEChem-04152109342D

 48 50  0     0  0  0  0  0  0999 V2000
    2.0000   -5.1873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116   -1.0941    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6698    0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -2.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    2.4467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3022    4.2738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    0.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    3.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    2.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3077    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900    3.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7090    5.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3870    3.6024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4703    2.8097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400    1.9328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0848    2.4012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3510    4.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7061    4.3193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4040    3.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3207    3.9108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    4.9352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9611    5.7537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1426    5.4395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1307    2.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4859    1.5786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -0.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.6504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.7243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.9973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.8073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 15  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  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 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 20  2  0  0  0  0
 10 20  1  0  0  0  0
 10 42  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 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 34  1  0  0  0  0
 14 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  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
 19 41  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 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 43  1  0  0  0  0
 24 27  2  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
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D02ESL
          07081000072D 1   1.00000     0.00000     0

 23 23  0     0  0            999 V2000
   -5.7056    1.0042    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7068    0.1019    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9295   -0.3485    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1463    0.1023    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1492    1.0079    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9313    1.4545    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9337    2.3545    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1538    2.8066    0.0000 S   0  0  3  0  0  0           0  0  0
   -4.1563    3.7066    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.3756    2.3629    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.0263    3.0386    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.3731    1.4629    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5907    1.0150    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5920    0.1155    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8105   -0.3322    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0338    0.1199    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0389    1.0242    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8209    1.4683    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2508   -0.3270    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2473   -1.2270    0.0000 O   0  5  0  0  0  0           0  0  0
    0.5244    0.1261    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.9297   -1.2485    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.1000    0.9000    0.0000 Na  0  3  0  0  0  0           0  0  0
  8 11  2  0     0  0
 10 12  2  0     0  0
  5  6  2  0     0  0
 12 13  1  0     0  0
  6  1  1  0     0  0
 13 14  2  0     0  0
  2  3  1  0     0  0
 14 15  1  0     0  0
  6  7  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
  7  8  1  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
  3  4  2  0     0  0
 16 19  1  0     0  0
  8  9  2  0     0  0
 19 20  1  0     0  0
  1  2  2  0     0  0
 19 21  2  0     0  0
  8 10  1  0     0  0
  3 22  1  0     0  0
  4  5  1  0     0  0
M  CHG  2  20  -1  23   1
M  END

$$$$
D02ETY
  -OEChem-04152109492D

 72 73  0     0  0  0  0  0  0999 V2000
    4.2601    6.5388    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562   -6.5388    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912    9.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2251   -9.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    5.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9562   -5.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3582    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9562   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    5.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652   -5.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    6.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4562   -6.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    5.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1472   -5.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    7.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0440   -7.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7163   -5.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    8.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6373   -8.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5702    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7476   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1461   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8815    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2801    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8348   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4362   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6136   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0121   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0155    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4140    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7008   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3023   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4796   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8782   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5668   -4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588    5.3962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5576   -5.3962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    7.6946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    6.9019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5580   -7.6946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4747   -6.9019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    5.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    5.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    4.6891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9079   -5.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3060   -5.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5247   -4.6891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5930    7.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5097    8.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1233   -7.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2066   -8.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7434    9.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9729   -9.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 29  1  0  0  0  0
  3 71  1  0  0  0  0
  4 30  1  0  0  0  0
  4 72  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  2  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  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 33  1  0  0  0  0
  8 34  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 12  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
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
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 13 15  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 17  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
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 21  2  0  0  0  0
 19 27  1  0  0  0  0
 20 22  2  0  0  0  0
 20 28  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 29  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 30  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
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END

$$$$
D02EVF
  -OEChem-10101305032D

 26 26  0     1  0  0  0  0  0999 V2000
    2.8090    0.9632    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5510    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949   -2.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6302   -0.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    1.5510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5691    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    2.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770    0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    2.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360   -1.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -1.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150    0.9386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887    1.2636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    1.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    2.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    3.1187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    0.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907   -0.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3477   -0.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    0.5688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    3.1187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    2.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3164   -1.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497   -1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6846   -2.5021    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
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 26  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  1  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 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  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 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 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END

$$$$
D02FCU
  -OEChem-04152108502D

 31 33  0     1  0  0  0  0  0999 V2000
    6.0873    3.1624    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    0.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681    2.0782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.3577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.9672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.5928    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8055    1.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    2.2109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3452    1.9002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1552    2.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794    0.4969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3440    0.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8972    1.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5028    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7100    2.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.1624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5703    2.4418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 28  1  0  0  0  0
  4 18  2  0  0  0  0
 10  5  1  1  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  1  0  0  0  0
  8 19  1  0  0  0  0
  8 29  1  0  0  0  0
  9 19  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 20  1  0  0  0  0
 11 12  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 23  1  0  0  0  0
 13 14  1  1  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

$$$$
D02FDJ
          12151000402D 1   1.00000     0.00000     0

 60 61  0     0  0            999 V2000
   -3.5375   -0.5792    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5375   -1.0750    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6760   -1.0750    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6760   -0.5792    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1088   -1.3250    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1088   -0.3250    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9698   -0.3312    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9681    0.1645    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.3998   -0.5792    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.8321   -0.3355    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2579   -0.5834    0.0000 C   0  0  3  0  0  0           0  0  0
   -5.6902   -0.3397    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.2555   -1.0792    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.6896   -1.3313    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.9680   -1.3261    0.0000 I   0  0  0  0  0  0           0  0  0
   -2.2454   -1.3261    0.0000 I   0  0  0  0  0  0           0  0  0
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   -1.8130    0.4124    0.0000 O   0  0  0  0  0  0           0  0  0
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   -0.9556   -0.5834    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3831    0.1645    0.0000 O   0  0  0  0  0  0           0  0  0
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   -0.5208    0.1604    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.3295   -1.3366    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.1058   -2.0818    0.0000 O   0  0  0  0  0  0           0  0  0
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   -0.5303   -1.3338    0.0000 I   0  0  0  0  0  0           0  0  0
    1.1926   -1.3429    0.0000 I   0  0  0  0  0  0           0  0  0
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    1.2002   -2.7545    0.0000 C   0  0  3  0  0  0           0  0  0
    1.1987   -3.2545    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6132   -2.5884    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0666   -2.7600    0.0000 O   0  0  0  0  0  0           0  0  0
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    1.2034    0.1500    0.0000 O   0  0  0  0  0  0           0  0  0
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   -3.1088    0.1708    0.0000 I   0  0  0  0  0  0           0  0  0
    0.3386    0.1569    0.0000 I   0  0  0  0  0  0           0  0  0
 29 30  1  0     0  0
  2 15  1  0     0  0
 29 31  1  0     0  0
  3  4  1  0     0  0
 30 32  1  0     0  0
  3 16  1  0     0  0
 32 33  1  0     0  0
  7  8  2  0     0  0
 32 34  1  0     0  0
  5 17  1  0     0  0
 34 35  2  0     0  0
 33 36  2  0     0  0
 37 38  1  0     0  0
 17 18  1  0     0  0
  7  9  1  0     0  0
 17 19  2  0     0  0
  1  6  1  0     0  0
 33 40  1  0     0  0
 36 39  1  0     0  0
 39 37  2  0     0  0
 38 40  2  0     0  0
 18 20  1  0     0  0
 39 41  1  0     0  0
  9 10  1  0     0  0
 41 42  2  0     0  0
 20 21  1  0     0  0
 41 43  1  0     0  0
  2  5  1  0     0  0
 36 44  1  0     0  0
 21 22  1  0     0  0
 37 45  1  0     0  0
 10 11  1  0     0  0
 43 46  1  0     0  0
 21 23  1  0     0  0
 46 47  1  0     0  0
  5  3  2  0     0  0
 47 48  1  0     0  0
 23 24  1  0     0  0
 47 49  1  0     0  0
 11 12  1  0     0  0
 49 50  1  0     0  0
  4 25  1  0     0  0
 38 51  1  0     0  0
  4  6  2  0     0  0
 51 52  1  0     0  0
 25 26  1  0     0  0
 51 53  2  0     0  0
 11 13  1  0     0  0
 52 54  1  0     0  0
 25 27  1  0     0  0
 54 55  1  0     0  0
  1  2  2  0     0  0
 55 56  1  0     0  0
 27 28  2  0     0  0
 55 57  1  0     0  0
 13 14  1  0     0  0
 57 58  1  0     0  0
 26 29  1  0     0  0
  6 59  1  0     0  0
  1  7  1  0     0  0
 40 60  1  0     0  0
M  END

$$$$
D02FEV
          01210517072D 1   1.00000     0.00000     0

 39 41  0     0  0            999 V2000
    5.3167   -4.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3167   -3.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -3.1500    0.0000 C   0  0  0  0  0  0           0  0  0
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 25 12  1  0     0  0
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 38 36  1  0     0  0
 39 37  1  0     0  0
  4  3  1  0     0  0
  7  9  2  0     0  0
 15 19  2  0     0  0
M  END

$$$$
D02GIA
  -OEChem-02061504182D

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M  END

$$$$
D02GLD
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M  END

$$$$
D02GNH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
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HETATM   22  C   UNL     1       1.787   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.073   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.502   2.269   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.216   1.856   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       2.502   3.094   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.216   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.931   0.619   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.645   1.031   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.645   1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.931   2.269   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.359   0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.359  -1.444   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.535  -1.444   0.000  1.00  0.00           N  
CONECT    1    2    6   33                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   17                                                 
CONECT   24   22   25   26                                            
CONECT   25   24   27   31                                            
CONECT   26   24                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   29                                                      
CONECT   33    1   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D02GPG
  -OEChem-04152111242D

 45 48  0     0  0  0  0  0  0999 V2000
    2.8660    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8651    0.1622    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8651    1.3378    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725    1.5547    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
   12.4725   -0.0547    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
    6.3301    0.2500    0.0000 N   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
    2.8660   -1.7500    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
    8.0622    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
    7.1962   -0.2500    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    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
   10.6603    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    1.2500    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
   10.6603   -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
   13.0561    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   -1.2500    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
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.1423    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
    7.5947   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.3700    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
    4.5981    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5600    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
    1.4631   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 20  1  0  0  0  0
  4 24  1  0  0  0  0
  5 17  2  0  0  0  0
  6 21  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  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 17  1  0  0  0  0
  9 17  1  0  0  0  0
  9 23  1  0  0  0  0
  9 41  1  0  0  0  0
 10 26  2  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
 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 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 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D02GTN
  -OEChem-02041521232D

 37 36  0     1  0  0  0  0  0999 V2000
    4.5981    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6550    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
    8.0622    2.8450    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
    6.3301    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  1  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
    3.7320   -0.6550    0.0000 C   0  0  1  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
    3.7320   -1.6550    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
    7.1962   -0.6550    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
    7.1962    2.3450    0.0000 C   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
    2.0000    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7196    0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9441   -2.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.8819    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
    1.6900    0.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.4650    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
    8.0622    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 17  1  0  0  0  0
  2 35  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  1  0  0  0  0
  4 36  1  0  0  0  0
  5 19  1  0  0  0  0
  5 37  1  0  0  0  0
  6 18  2  0  0  0  0
  7 19  2  0  0  0  0
  8 20  2  0  0  0  0
 11  9  1  1  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 13 10  1  1  0  0  0
 10 20  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 22  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 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  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
 20 21  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D02GTY
  -OEChem-10111523532D

 51 53  0     0  0  0  0  0  0999 V2000
    7.2680    1.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5884   -1.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7166   -2.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.1868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1243   -1.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -1.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0560   -1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -1.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    3.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    3.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    3.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    3.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    2.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188   -0.8172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    2.4920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    1.6703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9860   -2.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    0.1078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241   -1.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 26  1  0  0  0  0
  2 51  1  0  0  0  0
  3 26  2  0  0  0  0
  4 17  1  0  0  0  0
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  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
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  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
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  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
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  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 31  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END

$$$$
D02GWF
  -OEChem-10101305022D

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M  END

$$$$
D02HBB
  -OEChem-10101305022D

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M  END

$$$$
D02HDG
  -OEChem-04152111372D

 58 60  0     1  0  0  0  0  0999 V2000
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 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END

$$$$
D02HNG
  -OEChem-10101305032D

 50 52  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02HTD
  -OEChem-10101305022D

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M  END

$$$$
D02HUB
          01240506352D 1   1.00000     0.00000     0

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    1.2792   -4.5292    0.0000 O   0  0  0  0  0  0           0  0  0
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    5.0292   -1.1167    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  2  1  0     0  0
  5  3  1  0     0  0
  6  9  1  0     0  0
  7 13  1  0     0  0
  8  3  1  0     0  0
  9  7  1  0     0  0
 10  6  2  0     0  0
 11  1  1  0     0  0
 12  2  1  0     0  0
 13 11  1  0     0  0
  2 14  1  1     0  0
 15  5  1  0     0  0
 16  9  1  0     0  0
 17 12  1  0     0  0
 18 15  1  0     0  0
 19 25  1  0     0  0
 20  4  2  0     0  0
 21 17  2  0     0  0
 22 14  2  0     0  0
 23 19  2  0     0  0
  1 24  1  1     0  0
 25 16  1  0     0  0
 26 17  1  0     0  0
 27 14  1  0     0  0
  7 28  1  6     0  0
  9 29  1  1     0  0
  5 30  1  1     0  0
  3 31  1  6     0  0
  4  8  1  0     0  0
  7  5  1  0     0  0
 18  6  1  0     0  0
 19 10  1  0     0  0
M  END

$$$$
D02HUY
  -OEChem-04152111142D

 67 67  0     1  0  0  0  0  0999 V2000
    5.4641   -2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.0000    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
    8.0622   -4.0000    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
    8.9282   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5000    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
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    6.3301    2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.0622    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4516   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -5.4631    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
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    7.7331    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4422    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 28  1  0  0  0  0
  4 17  2  0  0  0  0
  5 27  1  0  0  0  0
  5 29  1  0  0  0  0
  6 27  2  0  0  0  0
  7 29  1  0  0  0  0
  7 31  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 31  2  0  0  0  0
 10 17  1  0  0  0  0
 10 23  1  0  0  0  0
 10 46  1  0  0  0  0
 11 15  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
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 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
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 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
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 15 39  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  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 24  1  0  0  0  0
 21 47  1  0  0  0  0
 22 25  2  0  0  0  0
 22 48  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  2  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  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 30  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
 32 33  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
 33 67  1  0  0  0  0
M  END

$$$$
D02IJA
  -OEChem-08301509502D

 30 33  0     0  0  0  0  0  0999 V2000
   10.9641    0.5743    0.0000 F   0  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
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    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
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    1.3940   -0.1412    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  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  END

$$$$
D02IKF
  -OEChem-03141904452D

 20 21  0     0  0  0  0  0  0999 V2000
    6.9473   -1.3047    0.0000 S   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
    6.9473    0.3047    0.0000 N   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
    6.0010   -1.0000    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
    4.2690    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
    7.5309   -0.5000    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
    8.5309   -0.5000    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    1.1200    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
    3.7320   -1.3100    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 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  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
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

$$$$
D02INX
  -OEChem-04152122322D

 72 75  0     1  0  0  0  0  0999 V2000
    7.8984    3.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8984    1.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883   -1.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984    3.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3984   -0.6361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4750   -2.6316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1350   -1.6188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2751   -3.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5339   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
M  END

$$$$
D02IWC
  -OEChem-10111523082D

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 32 33  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D02JAY
  -OEChem-10101305022D

 81 80  0     0  0  0  0  0  0999 V2000
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    7.7493    3.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7182   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3122   -2.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3037   -5.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2318   -0.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1672   -6.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1565    3.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223   -0.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0958   -0.1560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3052   -0.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2335    0.4917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6812    0.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692   -3.8261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7079   -3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6445   -0.0215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0844   -5.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0247    1.7498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2603   -2.1465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334   -2.9934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8803   -3.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2654    2.6668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1772    3.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2628   -1.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534   -1.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9389   -3.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8072   -3.1252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6854   -2.2569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 44  1  0  0  0  0
  5 44  2  0  0  0  0
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 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
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 13 26  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 36  1  0  0  0  0
 16 28  2  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 34  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  2  0  0  0  0
 21 25  2  0  0  0  0
 21 27  1  0  0  0  0
 21 35  1  0  0  0  0
 22 31  2  0  0  0  0
 23 30  1  0  0  0  0
 23 40  1  0  0  0  0
 24 38  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 29  1  0  0  0  0
 25 41  1  0  0  0  0
 26 39  1  0  0  0  0
 26 48  1  0  0  0  0
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 27 33  2  0  0  0  0
 28 50  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 34 42  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
 35 43  1  0  0  0  0
 35 56  1  0  0  0  0
 35 57  1  0  0  0  0
 36 58  1  0  0  0  0
 36 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
 38 44  1  0  0  0  0
 38 64  1  0  0  0  0
 38 65  1  0  0  0  0
 39 45  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
 40 68  1  0  0  0  0
 40 69  1  0  0  0  0
 40 70  1  0  0  0  0
 41 71  1  0  0  0  0
 41 72  1  0  0  0  0
 41 73  1  0  0  0  0
 42 74  1  0  0  0  0
 42 75  1  0  0  0  0
 42 76  1  0  0  0  0
 43 77  1  0  0  0  0
 43 78  1  0  0  0  0
 43 79  1  0  0  0  0
M  CHG  8   1   4   2  -1   3  -1   4  -1   6  -1   8  -1   9  -1  80   1
M  CHG  1  81   1
M  END

$$$$
D02JIN
  -OEChem-10121500532D

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    6.5383    1.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0722    3.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6741   -0.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9987    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    0.3442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9218    0.9688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1436   -2.6210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926   -1.9624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9928    1.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2122   -0.3735    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 13  1  0  0  0  0
  4 20  1  0  0  0  0
  4 28  1  0  0  0  0
  5 21  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 14  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 15  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 16  1  6  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  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
 15 42  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  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 49  1  0  0  0  0
 24 50  1  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 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
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
M  END

$$$$
D02JKY
  -OEChem-04152111212D

 41 43  0     0  0  0  0  0  0999 V2000
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    3.1951    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.5600    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 23  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
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  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
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  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
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  7 25  1  0  0  0  0
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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
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 13 16  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
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 16 38  1  0  0  0  0
 17 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
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D02JMU
  -OEChem-10121501522D

 46 48  0     0  0  0  0  0  0999 V2000
    2.0000   -2.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3660   -2.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6766   -1.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6882   -0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6882    1.7177    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
    5.4641   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.2038    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
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   11.5368   -1.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    2.3376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1300   -0.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    1.5159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2206   -2.3949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8530   -1.3282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 28  1  0  0  0  0
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 15 20  2  0  0  0  0
 17 21  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 23  2  0  0  0  0
 19 24  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
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 26  1  0  0  0  0
 23 39  1  0  0  0  0
 24 27  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END

$$$$
D02JOH
  -OEChem-10191523072D

 51 53  0     1  0  0  0  0  0999 V2000
    4.5981    5.5194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.4806    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.4806    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -2.4806    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9806    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    1.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -5.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5194    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230   -4.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -4.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.9806    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   -1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9806    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
    6.3301   -2.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4806    0.0000 C   0  0  0  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
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    2.8660   -2.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9806    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
  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
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  2 21  1  0  0  0  0
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 15 11  1  1  0  0  0
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 16 36  1  0  0  0  0
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 17 20  1  0  0  0  0
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 18 40  1  0  0  0  0
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 20 23  2  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 44  1  0  0  0  0
 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 33  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
 34 51  1  0  0  0  0
M  END

$$$$
D02JUW
  -OEChem-10101305032D

 17 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
    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
    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
    5.1350    1.7500    0.0000 C   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
    2.8660   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4450    1.2131    0.0000 H   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
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  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 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$
D02JXG
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    4.5981    4.2500    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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    7.2764   -0.4453    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
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    7.8600   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02KKA
  -OEChem-10191522562D

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M  END

$$$$
D02KLD
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M  END

$$$$
D02KRI
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 13  7  1  0     0  0
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 21  7  2  0     0  0
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 18 19  1  0     0  0
  6  5  1  0     0  0
  3 11  2  0     0  0
 10  9  2  0     0  0
M  END

$$$$
D02KXW
  -OEChem-10101305022D

 54 57  0     1  0  0  0  0  0999 V2000
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 13  2  1  1  0  0  0
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 22  3  1  1  0  0  0
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 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  3  0  0  0  0
 24 54  1  0  0  0  0
M  END

$$$$
D02LBK
  -OEChem-10101305032D

 56 58  0     0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D02LPY
  -OEChem-10101305032D

 37 38  0     0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 22  2  0  0  0  0
  3 10  2  0  0  0  0
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  4  9  2  0  0  0  0
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  5 22  1  0  0  0  0
  5 27  1  0  0  0  0
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  7  8  2  0  0  0  0
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  8 11  1  0  0  0  0
 10 13  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
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 13 15  2  0  0  0  0
 13 26  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
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 17 31  1  0  0  0  0
 18 20  2  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
M  END

$$$$
D02LSR
  -OEChem-02041520412D

 44 45  0     0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
M  END

$$$$
D02MRN
          03050900352D 1   1.00000     0.00000     0

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

$$$$
D02NHD
  -OEChem-10111523532D

 56 59  0     1  0  0  0  0  0999 V2000
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   10.7282    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17  3  1  6  0  0  0
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 26 48  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 30 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
M  END

$$$$
D02NHW
  -OEChem-10191521152D

 46 48  0     0  0  0  0  0  0999 V2000
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 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D02NIP
  SciTegic11301210262D

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

$$$$
D02NNN
  -OEChem-10101305022D

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 97104  2  0  0  0  0
 98199  1  0  0  0  0
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106214  1  0  0  0  0
107113  1  0  0  0  0
107215  1  0  0  0  0
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112218  1  0  0  0  0
112219  1  0  0  0  0
113220  1  0  0  0  0
114117  1  0  0  0  0
115223  1  0  0  0  0
115224  1  0  0  0  0
116118  1  0  0  0  0
116121  1  0  0  0  0
116222  1  0  0  0  0
117119  1  0  0  0  0
117225  1  0  0  0  0
118120  1  0  0  0  0
118229  1  0  0  0  0
118230  1  0  0  0  0
119123  1  0  0  0  0
119234  1  0  0  0  0
119235  1  0  0  0  0
120122  1  0  0  0  0
120236  1  0  0  0  0
120237  1  0  0  0  0
122241  1  0  0  0  0
122242  1  0  0  0  0
123125  2  0  0  0  0
123126  1  0  0  0  0
125127  1  0  0  0  0
125244  1  0  0  0  0
126128  2  0  0  0  0
126245  1  0  0  0  0
127129  2  0  0  0  0
127249  1  0  0  0  0
128129  1  0  0  0  0
128250  1  0  0  0  0
129131  1  0  0  0  0
131132  1  0  0  0  0
132133  2  0  0  0  0
132134  1  0  0  0  0
133135  1  0  0  0  0
133255  1  0  0  0  0
134136  2  0  0  0  0
134256  1  0  0  0  0
135137  2  0  0  0  0
135257  1  0  0  0  0
136137  1  0  0  0  0
136258  1  0  0  0  0
137259  1  0  0  0  0
M  END

$$$$
D02NNV
  -OEChem-10121500422D

 37 40  0     0  0  0  0  0  0999 V2000
    2.0000    1.0154    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0154    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.0087    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904   -3.0154    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340   -0.0221    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -2.0192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -2.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0019   -0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -0.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    0.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5982   -0.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -1.8308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0043    0.6046    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 16  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 28  1  0  0  0  0
  6 14  2  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
  8 16  2  0  0  0  0
  9 14  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 17 31  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
 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
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 35  1  0  0  0  0
 26 28  2  0  0  0  0
 26 36  1  0  0  0  0
 27 28  1  0  0  0  0
 27 37  1  0  0  0  0
M  END

$$$$
D02NTS
  -OEChem-02061503592D

 48 51  0     0  0  0  0  0  0999 V2000
   12.3692    1.1328    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3692    2.3083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9766    2.5253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9766    0.9158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -1.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836    1.0181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    1.2260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    2.7205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    2.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8457   -2.4270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    1.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    2.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    1.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    2.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    2.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    2.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    1.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    1.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    0.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    1.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5602    1.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4389   -3.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4067    1.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    3.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    0.4513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461   -0.3414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1786   -1.0511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0953   -0.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    3.3406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7614    0.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    0.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.6133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    3.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8725   -3.0884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9050   -2.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4568   -2.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7754   -1.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1868   -3.9070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0053   -3.5927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    0.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    3.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 26  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 21  1  0  0  0  0
  4 26  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 35  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  2  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 16  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  1  0  0  0  0
 17 24  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 36  1  0  0  0  0
 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 29  1  0  0  0  0
 24 39  1  0  0  0  0
 25 30  2  0  0  0  0
 25 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D02NUT
  -OEChem-10191521162D

 72 77  0     1  0  0  0  0  0999 V2000
   10.7262   -0.9601    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -1.5010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9038    3.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348    0.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3243   -1.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7196    2.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -2.4943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -2.9843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1835    2.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -1.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.5010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7243   -0.9976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -2.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7205    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282   -2.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262   -2.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -2.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -2.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0602   -2.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1719    3.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0552    1.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9663   -2.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4862   -0.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0321    3.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9154    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3233    1.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4746    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0602   -1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9663   -0.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4862   -2.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3923   -1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3923   -2.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4515    2.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6029    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5913    1.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3353   -3.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1324   -3.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -1.5996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8021   -0.9109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260   -2.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 30 37  2  0  0  0  0
 31 38  2  0  0  0  0
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 37 39  1  0  0  0  0
 37 71  1  0  0  0  0
 38 39  1  0  0  0  0
 38 72  1  0  0  0  0
M  END

$$$$
D02NXM
  -OEChem-04152111362D

 44 46  0     1  0  0  0  0  0999 V2000
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 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D02NZO
  -OEChem-10101305032D

 53 54  0     1  0  0  0  0  0999 V2000
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 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

$$$$
D02OJC
  -OEChem-10101305022D

 50 53  0     1  0  0  0  0  0999 V2000
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 25 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END

$$$$
D02ONT
  -OEChem-02041521302D

 11 11  0     0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 11  1  0  0  0  0
M  END

$$$$
D02ORS
  -OEChem-10191522592D

 64 66  0     1  0  0  0  0  0999 V2000
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 34 64  1  0  0  0  0
M  END

$$$$
D02OTK
  -OEChem-04152111112D

 56 58  0     1  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
M  END

$$$$
D02OZK
  -OEChem-10101305022D

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M  END

$$$$
D02PAW
  -OEChem-04152111222D

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 24  1  1  1  0  0  0
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 30 36  2  0  0  0  0
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 49 51  1  0  0  0  0
 49 55  1  0  0  0  0
 50 51  1  0  0  0  0
 50 56  1  0  0  0  0
 52 79  1  0  0  0  0
 52 80  1  0  0  0  0
 52 81  1  0  0  0  0
 53 61  2  0  0  0  0
 54 62  2  0  0  0  0
 55 59  2  0  0  0  0
 55 82  1  0  0  0  0
 56 60  2  0  0  0  0
 56 83  1  0  0  0  0
 57 84  1  0  0  0  0
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 57 86  1  0  0  0  0
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 58 89  1  0  0  0  0
 59 61  1  0  0  0  0
 60 62  1  0  0  0  0
 61 91  1  0  0  0  0
 62 92  1  0  0  0  0
M  CHG  8   8  -1   9  -1  12  -1  13  -1  20   1  21   1  22   1  23   1
M  END

$$$$
D02PGP
  -OEChem-10101305032D

 52 54  0     0  0  0  0  0  0999 V2000
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  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
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 25 44  1  0  0  0  0
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 26 47  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
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END

$$$$
D02PHE
  -OEChem-10191522562D

 60 63  0     0  0  0  0  0  0999 V2000
    7.9128    5.1830    0.0000 S   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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 26 33  1  0  0  0  0
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 27 47  1  0  0  0  0
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 28 30  2  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
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
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 34 37  2  0  0  0  0
 35 36  2  0  0  0  0
 35 55  1  0  0  0  0
 36 56  1  0  0  0  0
 37 57  1  0  0  0  0
 38 58  1  0  0  0  0
 38 59  1  0  0  0  0
 38 60  1  0  0  0  0
M  END

$$$$
D02POH
          01210517082D 1   1.00000     0.00000     0

 40 45  0     0  0            999 V2000
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D02PQB
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D02PYB
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$$$$
D02PYN
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 47101  1  0  0  0  0
M  END

$$$$
D02QBT
  SciTegic11301210262D

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M  END

$$$$
D02QFW
  -OEChem-04152110452D

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 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D02QWY
  -OEChem-10121501492D

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 33 34  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D02RDX
  -OEChem-04152111212D

 34 33  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02RJY
  -OEChem-10191522572D

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 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
M  END

$$$$
D02RNR
  -OEChem-04152111352D

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  1  8  1  0  0  0  0
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  2 13  2  0  0  0  0
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  8 11  1  0  0  0  0
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 10 14  1  0  0  0  0
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 15 17  1  0  0  0  0
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 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 37  1  0  0  0  0
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 19 39  1  0  0  0  0
M  END

$$$$
D02RNS
          09260800442D 1   1.00000     0.00000     0

 24 25  0     1  0            999 V2000
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  2  4  1  0     0  0
  3  5  1  0     0  0
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 10  7  2  0     0  0
 11 17  1  0     0  0
 12  2  2  0     0  0
 13  2  1  0     0  0
 14  8  2  0     0  0
 15 11  2  0     0  0
 13 16  1  6     0  0
 17 16  1  0     0  0
 18  8  1  0     0  0
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 21  7  1  0     0  0
 22 10  1  0     0  0
 23 21  2  0     0  0
 24 23  1  0     0  0
 10  3  1  0     0  0
 24 22  2  0     0  0
M  END

$$$$
D02RPK
  -OEChem-04152122292D

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 21 53  1  0  0  0  0
 22 25  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 27  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  1  0  0  0  0
 26 27  2  0  0  0  0
 26 58  1  0  0  0  0
 27 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
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  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
 33 70  1  0  0  0  0
 34 36  1  0  0  0  0
 34 71  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
M  END

$$$$
D02RQT
  -OEChem-04152110382D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000    1.1073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2418    2.9816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1279    0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8550    1.8625    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  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  2  0  0  0  0
  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  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  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 27  1  0  0  0  0
 21 30  1  0  0  0  0
M  END

$$$$
D02RRX
  SciTegic11301210262D

 27 29  0  0  0  0            999 V2000
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    1.2750    0.4833    0.0000 C   0  0
    0.2917   -1.0750    0.0000 C   0  0
    0.8625    2.4250    0.0000 C   0  0
    1.5542    1.5708    0.0000 C   0  0
   -0.2125    2.4250    0.0000 N   0  0
   -0.9333    1.6000    0.0000 C   0  0
   -0.7083    0.4958    0.0000 C   0  0
   -1.9958    1.9583    0.0000 C   0  0
    1.1750   -1.6792    0.0000 C   0  0
   -1.5125   -0.2292    0.0000 C   0  0
   -0.7083   -1.6417    0.0000 O   0  0
    1.3042    3.4625    0.0000 O   0  0
   -2.8083    1.2000    0.0000 C   0  0
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   -2.5500    0.1000    0.0000 C   0  0
    2.6042    1.8833    0.0000 C   0  0
    2.1000   -0.2792    0.0000 C   0  0
   -3.9125    1.5208    0.0000 Cl  0  0
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   -1.6625   -3.3875    0.0000 O   0  0
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   -0.6833   -2.8042    0.0000 C   0  0
    3.4125    1.1208    0.0000 C   0  0
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  2  1  1  0
  3  1  1  0
  4  5  1  0
  5  2  2  0
  6  7  1  0
  7  8  2  0
  8  1  1  0
  9  7  1  0
 10  3  1  0
 11  8  1  0
 12  3  2  0
 13  4  2  0
 14 16  1  0
 15 10  1  0
 16 11  2  0
 17  5  1  0
 18  2  1  0
 19 14  1  0
 20 24  1  0
 21 25  1  0
 22 15  1  0
 23 15  1  0
 24 23  1  0
 25 22  1  0
 26 27  1  0
 27 18  2  0
  4  6  1  0
  9 14  2  0
 17 26  2  0
M  END

$$$$
D02RVN
          07091100312D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
    1.9788    1.9041    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1956    1.4500    0.0000 S   0  0  3  0  0  0           0  0  0
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    1.6456    0.6668    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4165    1.0000    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.1501    2.8041    0.0000 N   0  0  0  0  0  0           0  0  0
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   -0.3668    1.4500    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.1501    1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.7165    1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.2790    3.7083    0.0000 C   0  0  0  0  0  0           0  0  0
  3  2  2  0     0  0
  4  2  2  0     0  0
  2  5  1  0     0  0
  1  2  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
 10  9  1  0     0  0
 11 10  1  0     0  0
 12 11  2  0     0  0
 13 12  1  0     0  0
 14 13  2  0     0  0
 15 14  1  0     0  0
 15  6  1  0     0  0
 15 10  2  0     0  0
  9 16  2  0     0  0
  7 17  2  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 21 20  2  0     0  0
 22 21  1  0     0  0
 22 18  2  0     0  0
 19 23  1  0     0  0
 12 20  1  0     0  0
 25 24  1  0     0  0
 26 24  1  0     0  0
 13 24  1  0     0  0
  5  8  1  0     0  0
M  END

$$$$
D02SME
          03060901052D 1   1.00000     0.00000     0

 94101  0     0  0            999 V2000
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    5.6625   -4.1875    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.6792   -6.8750    0.0000 Cl  0  5  0  0  0  0           0  0  0
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   10.0650   -2.8041    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.7728   -2.7765    0.0000 C   0  0  0  0  0  0           0  0  0
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   11.1506   -3.3756    0.0000 O   0  0  0  0  0  0           0  0  0
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 42 45  1  0     0  0
 45 46  1  0     0  0
 45 47  2  0     0  0
 20 23  1  0     0  0
 23 24  2  0     0  0
 23 25  1  0     0  0
  9 12  1  0     0  0
 12 13  2  0     0  0
 12 14  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
 26 27  1  0     0  0
 27 28  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
 31 34  1  0     0  0
 34 35  2  0     0  0
 34 36  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11  6  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 17  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  2  0     0  0
 40 41  1  0     0  0
 41 42  2  0     0  0
 42 43  1  0     0  0
 43 44  2  0     0  0
 44 39  1  0     0  0
 85 86  2  0     0  0
 64 54  1  0     0  0
 86 87  1  0     0  0
 65 55  1  0     0  0
 87 15  2  0     0  0
 15 75  1  0     0  0
 66 53  1  0     0  0
 74  4  2  0     0  0
 67 52  2  0     0  0
  4 88  1  0     0  0
 68 70  2  0     0  0
 88 89  2  0     0  0
 69 71  2  0     0  0
 89 90  1  0     0  0
 70 54  1  0     0  0
 90 91  2  0     0  0
 91 74  1  0     0  0
 71 55  1  0     0  0
 61 67  1  0     0  0
 56 66  2  0     0  0
 57 64  2  0     0  0
 58 65  2  0     0  0
 57 68  1  0     0  0
 58 69  1  0     0  0
 60 72  1  0     0  0
 62 73  1  0     0  0
 59 74  1  0     0  0
 50 49  1  0     0  0
 63 75  1  0     0  0
 51 48  1  0     0  0
 72 76  2  0     0  0
 52 48  1  0     0  0
 76 77  1  0     0  0
 53 49  1  0     0  0
 77 78  2  0     0  0
 54 60  2  0     0  0
 78 79  1  0     0  0
 55 59  2  0     0  0
 79 37  2  0     0  0
 37 72  1  0     0  0
 56 50  1  0     0  0
 73 26  2  0     0  0
 57 62  1  0     0  0
 26 80  1  0     0  0
 58 63  1  0     0  0
 80 81  2  0     0  0
 59 51  1  0     0  0
 81 82  1  0     0  0
 60 52  1  0     0  0
 82 83  2  0     0  0
 83 73  1  0     0  0
 61 51  2  0     0  0
 75 84  2  0     0  0
 62 50  2  0     0  0
 84 85  1  0     0  0
 63 53  2  0     0  0
  1  2  1  0     0  0
M  CHG  8   1   2   3  -1   4   1  15   1  26   1  37   1  48  -1  49  -1
M  CHG  3  92  -1  93  -1  94  -1
M  END

$$$$
D02SNY
  -OEChem-02061504062D

 17 11  0     0  0  0  0  0  0999 V2000
    0.8660    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 O   0  5  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
    5.4641    3.0000    0.0000 O   0  5  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
    3.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.3100    0.0000 H   0  0  0  0  0  0  0  0  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 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  4   5  -1   6  -1   7  -1   8  -1
M  END

$$$$
D02SPX
  -OEChem-04152110182D

 45 47  0     1  0  0  0  0  0999 V2000
    2.0000   -1.0389    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.2836    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8055   -0.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044    0.0270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.8436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.9049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010    3.3928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1656    0.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8084    2.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    1.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5498    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    3.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    2.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7440    2.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7225    3.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -3.4329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8911    1.2833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5582    0.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796    3.1573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9638   -0.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0112    0.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1357    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    3.5201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7265    3.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6791    2.6920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8474    1.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2479   -2.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -3.4418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3299    3.4418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 24  1  0  0  0  0
  5 19  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  7 19  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 28  3  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
 10 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 21  2  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 32  1  0  0  0  0
 17 22  2  0  0  0  0
 17 33  1  0  0  0  0
 18 23  2  0  0  0  0
 18 25  1  0  0  0  0
 20 23  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  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
 24 38  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 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
M  END

$$$$
D02SUR
  -OEChem-10101305032D

 38 40  0     0  0  0  0  0  0999 V2000
    2.8660    2.7320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2680    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2320    0.0000 C   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
    9.2619   -2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368   -2.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    0.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    1.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    1.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819   -0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    0.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7249   -2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9519   -3.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988   -3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0779    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 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4 14  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 30  1  0  0  0  0
  7 15  2  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
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 19  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
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  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 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  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 22  1  0  0  0  0
 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
M  END

$$$$
D02SVQ
          10090700122D 1   1.00000     0.00000     0

 32 35  0     0  0            999 V2000
    3.1247   -7.9105    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8331   -7.9105    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0524   -8.5821    0.0000 N   0  0  3  0  0  0           0  0  0
    3.4789   -9.0022    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9055   -8.5821    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7165  -10.0494    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4249  -10.0494    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6442  -10.7211    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0707  -11.1411    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4973  -10.7211    0.0000 N   0  0  3  0  0  0           0  0  0
    4.0491  -10.7072    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0495   -9.9984    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6632   -9.6461    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2765  -10.0021    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2721  -10.7141    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6579  -11.0632    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8832  -11.0723    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8914   -9.6506    0.0000 O   0  0  0  0  0  0           0  0  0
    4.6649   -8.9378    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8556  -11.6787    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5640  -11.6787    0.0000 O   0  0  0  0  0  0           0  0  0
    2.2098  -11.0667    0.0000 S   0  0  3  0  0  0           0  0  0
    0.3694  -10.0041    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3682  -10.7148    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9831  -11.0694    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5953  -10.7144    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5925  -10.0005    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9813   -9.6497    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2440   -9.6499    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8575  -10.0040    0.0000 C   0  0  0  0  0  0           0  0  0
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 16 11  1  0     0  0
  4  5  1  0     0  0
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 17 10  1  0     0  0
  7  8  1  0     0  0
 14 18  1  0     0  0
  8  9  1  0     0  0
 13 19  1  0     0  0
 19  3  1  0     0  0
 22 21  2  0     0  0
 20 22  2  0     0  0
  9 10  1  0     0  0
 10  6  1  0     0  0
  5  1  1  0     0  0
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 11 12  2  0     0  0
 23 24  2  0     0  0
  1  2  1  0     0  0
 24 25  1  0     0  0
 12 13  1  0     0  0
 25 26  2  0     0  0
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 13 14  2  0     0  0
 27 28  2  0     0  0
 28 23  1  0     0  0
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 23 29  1  0     0  0
 14 15  1  0     0  0
 29 30  1  0     0  0
 26 22  1  0     0  0
  3  4  1  0     0  0
 22 31  1  0     0  0
 15 16  2  0     0  0
 31 32  1  0     0  0
 32 11  1  0     0  0
M  END

$$$$
D02TGD
  -OEChem-10111523542D

 43 46  0     1  0  0  0  0  0999 V2000
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 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

$$$$
D02TIK
  -OEChem-10101305022D

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 10 16  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
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M  END

$$$$
D02TMO
          01280517592D 1   1.00000     0.00000     0

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  9 40  1  0     0  0
100107  2  0     0  0
 93 76  2  0     0  0
 36 38  1  0     0  0
 28 81  1  0     0  0
M  CHG  4  89  -1  90  -1  91  -1  95   3
M  ISO  1  95 177
M  END

$$$$
D02TTL
  -OEChem-04152111192D

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 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END

$$$$
D02TUL
  -OEChem-03141904522D

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 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D02UFQ
  -OEChem-10101305022D

 63 66  0     0  0  0  0  0  0999 V2000
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   10.2985    0.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 35 61  1  0  0  0  0
 36 37  2  0  0  0  0
 36 62  1  0  0  0  0
 37 63  1  0  0  0  0
M  END

$$$$
D02UJD
  -OEChem-04152108552D

 52 55  0     1  0  0  0  0  0999 V2000
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 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

$$$$
D02UKX
  -OEChem-02061504092D

136136  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02UOZ
  -OEChem-02061504052D

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M  END

$$$$
D02URM
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 87170  1  0  0  0  0
 88171  1  0  0  0  0
 88172  1  0  0  0  0
 88173  1  0  0  0  0
M  CHG  1  24   1
M  END

$$$$
D02VER
  -OEChem-02061504192D

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451461  2  0  0  0  0
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456825  1  0  0  0  0
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461838  1  0  0  0  0
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463851  1  0  0  0  0
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465468  2  0  0  0  0
465855  1  0  0  0  0
468469  1  0  0  0  0
468470  1  0  0  0  0
470859  1  0  0  0  0
470860  1  0  0  0  0
470861  1  0  0  0  0
471472  1  0  0  0  0
471862  1  0  0  0  0
471863  1  0  0  0  0
472864  1  0  0  0  0
472865  1  0  0  0  0
473474  1  0  0  0  0
473866  1  0  0  0  0
473867  1  0  0  0  0
474868  1  0  0  0  0
474869  1  0  0  0  0
475476  1  0  0  0  0
475870  1  0  0  0  0
475871  1  0  0  0  0
476872  1  0  0  0  0
476873  1  0  0  0  0
M  END

$$$$
D02VKC
  -OEChem-10121500222D

 31 33  0     0  0  0  0  0  0999 V2000
    8.3061    0.8267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    1.8266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2945   -0.1733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.4007    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8962   -1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.8661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.2033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8962   -1.5346    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.3060    0.8151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    1.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    2.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    2.1767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    2.1878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097    3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6222    1.3484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6098    0.2746    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 11  1  0  0  0  0
  1 15  1  0  0  0  0
  4 22  2  0  0  0  0
  5 23  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  0  0  0  0
  8 27  1  0  0  0  0
  9 16  1  0  0  0  0
  9 23  1  0  0  0  0
  9 29  1  0  0  0  0
 10 17  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 15  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  2  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
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END

$$$$
D02VSP
  -OEChem-10101305022D

 43 45  0     1  0  0  0  0  0999 V2000
   12.0605   -1.7827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0605   -1.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6854    0.5493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    1.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0605   -1.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0605   -2.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0605   -0.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9874    0.8081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5605   -0.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6902    0.3604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    2.3678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7286   -0.1578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3844    0.0003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2508    1.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1934   -1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2799   -0.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8193    0.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    0.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470    1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    2.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    2.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5086   -0.9789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5173    0.6059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5686    2.3231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6376    1.8827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8557   -1.9209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -1.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6734   -0.8653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883   -1.5839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8181    0.4231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5613   -0.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298    1.7754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    2.5335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    0.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2871    0.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780    1.6219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9243    0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004    3.0585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    3.2242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3705   -2.3196    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  6  2  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5 43  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  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 33  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 42  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  1  0  0  0
 13 16  1  0  0  0  0
 13 18  1  1  0  0  0
 13 25  1  0  0  0  0
 14 26  1  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
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  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
 21 37  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

$$$$
D02WFN
  -OEChem-02031521052D

 55 59  0     1  0  0  0  0  0999 V2000
    2.8602    1.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138   -0.8192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.6946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8641    0.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7359   -0.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    1.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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

$$$$
D02WRV
  -OEChem-02051508402D

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 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END

$$$$
D02WVT
  -OEChem-10191523012D

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 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D02XLI
  -OEChem-04152111362D

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 16  1  1  6  0  0  0
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 22 10  1  1  0  0  0
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 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D02XNW
  -OEChem-10191522552D

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 21 48  1  0  0  0  0
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 22 25  2  0  0  0  0
 22 51  1  0  0  0  0
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 27 28  2  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 57  1  0  0  0  0
 32 33  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
M  END

$$$$
D02XSL
          06230900072D 1   1.00000     0.00000     0

 31 33  0     0  0            999 V2000
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 16 17  1  0     0  0
  7  8  1  0     0  0
  3  7  1  0     0  0
  1  6  1  0     0  0
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 13 19  1  0     0  0
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 18 16  2  0     0  0
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 10 20  2  0     0  0
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 21 22  1  0     0  0
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 10 24  1  0     0  0
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 23 21  2  0     0  0
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 11 12  1  0     0  0
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 22 29  1  0     0  0
 13 15  2  0     0  0
  7 30  2  0     0  0
  1  2  1  0     0  0
  7 31  2  0     0  0
M  ISO  1  29  18
M  END

$$$$
D02XXN
  -OEChem-10121501562D

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 26 64  1  0  0  0  0
 27 30  2  0  0  0  0
 29 32  1  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 65  1  0  0  0  0
 31 32  2  0  0  0  0
 31 37  1  0  0  0  0
 32 66  1  0  0  0  0
 33 36  1  0  0  0  0
 33 67  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
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 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 37 73  1  0  0  0  0
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 40 45  1  0  0  0  0
 41 42  1  0  0  0  0
 41 44  1  0  0  0  0
 42 78  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

$$$$
D02XXT
  -OEChem-02061504222D

 26 28  0     0  0  0  0  0  0999 V2000
    2.0000    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9631   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7690   -1.1230    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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  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 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  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  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 15  1  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 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D02XYB
          11280715062D 1   1.00000     0.00000     0

 24 26  0     0  0            999 V2000
   -1.2708   -1.9750    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2708   -0.6375    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.0583   -1.7167    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.7875   -1.3042    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0583   -0.8917    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0208   -2.7542    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5708   -3.3667    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.3125   -4.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0375   -1.3042    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7708   -2.1292    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7708   -0.4792    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5083   -4.3292    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.4833   -1.7167    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4833   -0.8917    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.1625   -6.1667    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  1  2  0     0  0
  5  3  1  0     0  0
  6  1  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  4  1  0     0  0
 10  3  1  0     0  0
 11  5  1  0     0  0
 12  8  2  0     0  0
 13 10  2  0     0  0
 14 13  1  0     0  0
 15  9  2  0     0  0
 16  9  1  0     0  0
 17 18  1  0     0  0
 18 16  2  0     0  0
 19 15  1  0     0  0
 20 17  1  0     0  0
 21  8  1  0     0  0
 22  7  1  0     0  0
 23 21  1  0     0  0
 24 23  1  0     0  0
  5  2  2  0     0  0
 17 19  2  0     0  0
 14 11  2  0     0  0
M  END

$$$$
D02YEY
  -OEChem-02041521342D

 35 37  0     0  0  0  0  0  0999 V2000
    2.8660   -3.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.7309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.5230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3147    0.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    2.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0404    4.3670    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 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  2  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 18  2  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 28  1  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
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END

$$$$
D02YKI
  -OEChem-02061504162D

 63 67  0     1  0  0  0  0  0999 V2000
    9.1034    3.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6723    2.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5716   -1.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4821    1.6613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8446   -3.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7713    2.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 61  1  0  0  0  0
 30 31  2  0  0  0  0
 30 62  1  0  0  0  0
 31 63  1  0  0  0  0
M  END

$$$$
D02YNI
  -OEChem-04152122292D

 56 60  0     1  0  0  0  0  0999 V2000
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 32 34  2  0  0  0  0
 32 54  1  0  0  0  0
 33 34  1  0  0  0  0
 33 55  1  0  0  0  0
M  END

$$$$
D02YPU
  -OEChem-10101305022D

 24 24  0     0  0  0  0  0  0999 V2000
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  3  9  2  0  0  0  0
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 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

$$$$
D02YQO
  -OEChem-10121500052D

 48 52  0     0  0  0  0  0  0999 V2000
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  1 22  1  0  0  0  0
  1 28  1  0  0  0  0
  2 25  1  0  0  0  0
  2 29  1  0  0  0  0
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  3 10  1  0  0  0  0
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 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  2  0  0  0  0
 21 38  1  0  0  0  0
 22 26  2  0  0  0  0
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 23 39  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D02YVM
  -OEChem-10101305022D

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 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D02ZBW
          07161000432D 1   1.00000     0.00000     0

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

$$$$
D02ZHW
          02220800342D 1   1.00000     0.00000     0

103107  0     1  0            999 V2000
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M  CHG  1 103   3
M  ISO  1 103 177
M  END

$$$$
D02ZKR
  -OEChem-10101305032D

 35 37  0     1  0  0  0  0  0999 V2000
    8.0405    2.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992    0.9176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 35  1  0  0  0  0
M  END

$$$$
D02ZPN
  -OEChem-04152109012D

 27 29  0     0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 11 20  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D02ZQS
  -OEChem-10191521152D

 72 77  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02ZUG
  -OEChem-03141904522D

 66 71  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02ZUO
  -OEChem-10121501532D

 33 35  0     1  0  0  0  0  0999 V2000
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 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D02ZZG
  -OEChem-03141904542D

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 36 73  1  0  0  0  0
M  END

$$$$
D02ZZU
  -OEChem-04152111142D

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   15.7131    0.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3969   -2.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5076    2.2766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6321    2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5847    1.4485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9826    2.8946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5955    2.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3987    3.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8775    3.7658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 31  6  1  1  0  0  0
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 29 73  1  0  0  0  0
 30 33  1  0  0  0  0
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 37 85  1  0  0  0  0
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 38 88  1  0  0  0  0
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 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  2  0  0  0  0
 42 44  1  0  0  0  0
 45 91  1  0  0  0  0
 45 92  1  0  0  0  0
 45 93  1  0  0  0  0
M  END

$$$$
D03AJF
  -OEChem-03141904532D

 46 47  0     1  0  0  0  0  0999 V2000
    3.9783    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.3426    4.4723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7530    3.1675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2087    4.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    2.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    4.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7530    4.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0636    5.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366    3.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0421    5.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386    4.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 46  1  0  0  0  0
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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

$$$$
D03AND
  -OEChem-10191523082D

 53 57  0     0  0  0  0  0  0999 V2000
   16.6637   -3.0427    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 32 35  2  0  0  0  0
 32 37  1  0  0  0  0
 33 36  2  0  0  0  0
 33 51  1  0  0  0  0
 35 52  1  0  0  0  0
 36 53  1  0  0  0  0
M  END

$$$$
D03AOP
  -OEChem-04152111292D

 22 22  0     0  0  0  0  0  0999 V2000
    3.4901    1.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    0.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.6855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -0.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -2.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    2.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887   -1.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5763    2.7493    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  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  9  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 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 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
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END

$$$$
D03AVS
  -OEChem-04152110402D

 54 58  0     0  0  0  0  0  0999 V2000
    2.4777    2.9582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3928   -3.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0396    4.5354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7910   -2.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    2.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    0.7912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189    3.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2097    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0757    2.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437    1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2097    2.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005   -0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3437    2.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1245    4.8692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9899    5.7357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1235    5.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 29  1  0  0  0  0
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  3 30  1  0  0  0  0
  4 27  2  0  0  0  0
  5 28  2  0  0  0  0
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 10 14  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 36  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 24  2  0  0  0  0
 20 38  1  0  0  0  0
 21 25  2  0  0  0  0
 21 39  1  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
 23 28  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
 29 31  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 32  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  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
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END

$$$$
D03AYQ
  -OEChem-04152111272D

 33 35  0     1  0  0  0  0  0999 V2000
    3.0400    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9437    5.1932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1461    4.1105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2801    3.6105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1464    3.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9382    5.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0121    4.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8782    4.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121    5.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442    4.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8782    6.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 33  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
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  3  6  1  0  0  0  0
  3  8  1  1  0  0  0
  4  5  1  0  0  0  0
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  4 18  1  1  0  0  0
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  6 21  1  0  0  0  0
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 10 12  2  0  0  0  0
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 13 15  2  0  0  0  0
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 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

$$$$
D03AZR
          01061000302D 1   1.00000     0.00000     0

 47 52  0     1  0            999 V2000
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    1.5164   -3.3611    0.0000 C   0  0  0  0  0  0           0  0  0
  3  2  1  0     0  0
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 10  4  1  0     0  0
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 20 15  1  0     0  0
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 31 23  1  0     0  0
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 38 34  1  0     0  0
 39 34  2  0     0  0
 40 41  1  0     0  0
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 44 43  1  0     0  0
 14 45  1  6     0  0
  5  8  2  0     0  0
 11  3  1  0     0  0
 16 12  1  0     0  0
 33 40  2  0     0  0
 17 20  1  0     0  0
 42 44  2  0     0  0
 33 46  1  0     0  0
  2  1  2  0     0  0
 46 47  1  0     0  0
M  END

$$$$
D03BFU
  -OEChem-04152110472D

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 34 43  1  0  0  0  0
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 38 42  2  0  0  0  0
 38 79  1  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 39 44  1  0  0  0  0
 40 45  1  0  0  0  0
 40 80  1  0  0  0  0
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 42 82  1  0  0  0  0
 45 48  2  0  0  0  0
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 47 48  1  0  0  0  0
 47 84  1  0  0  0  0
 48 85  1  0  0  0  0
 49 50  1  0  0  0  0
 49 86  1  0  0  0  0
 49 87  1  0  0  0  0
 50 90  1  0  0  0  0
 50 91  1  0  0  0  0
 50 92  1  0  0  0  0
 51 93  1  0  0  0  0
 51 94  1  0  0  0  0
 51 95  1  0  0  0  0
M  END

$$$$
D03BHM
  -OEChem-04152110592D

 33 35  0     0  0  0  0  0  0999 V2000
   11.5942   -0.2673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   10.7282    0.2327    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3991   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 11  2  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 22  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  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
 14 27  1  0  0  0  0
 15 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  2  0  0  0  0
 16 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 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D03BHZ
  -OEChem-04152122312D

 58 61  0     1  0  0  0  0  0999 V2000
    2.8660   -3.7673    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2625    1.6786    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
  2 32  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
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  7 15  1  0  0  0  0
 13  8  1  1  0  0  0
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  8 49  1  0  0  0  0
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 16 22  1  0  0  0  0
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 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
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 19 21  1  0  0  0  0
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 20 22  1  0  0  0  0
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 21 25  1  0  0  0  0
 23 45  1  0  0  0  0
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 24 48  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
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 28 31  2  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
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D03BKV
  -OEChem-04152111262D

 38 39  0     1  0  0  0  0  0999 V2000
    2.0000   -4.7500    0.0000 Cl  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
    7.1962   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    4.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 C   0  0  3  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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    4.5981   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 10 26  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 31  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 33  1  0  0  0  0
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 16 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D03BQP
  -OEChem-10121501592D

 41 43  0     1  0  0  0  0  0999 V2000
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    4.2690    0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
  2 16  1  0  0  0  0
  2 39  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
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 14 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
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 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
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 22 37  1  0  0  0  0
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 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
M  END

$$$$
D03BXU
  -OEChem-04152110412D

 57 61  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03BYM
  -OEChem-03141904472D

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M  END

$$$$
D03BZN
  -OEChem-04152122232D

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    4.7443   -4.7896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 63  1  0  0  0  0
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 30 65  1  0  0  0  0
 31 33  1  0  0  0  0
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 35 77  1  0  0  0  0
 35 78  1  0  0  0  0
 36 79  1  0  0  0  0
 36 80  1  0  0  0  0
M  CHG  2   2   1   7  -1
M  END

$$$$
D03CGQ
  -OEChem-04152111062D

 57 61  0     0  0  0  0  0  0999 V2000
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    3.6636   -2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7408    1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0515    2.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0300    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3406    3.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6943    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6728    4.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6394   -1.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6394    1.2953    0.0000 H   0  0  0  0  0  0  0  0  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
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 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
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 18 24  2  0  0  0  0
 19 41  1  0  0  0  0
 20 23  1  0  0  0  0
 20 25  2  0  0  0  0
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 21 42  1  0  0  0  0
 22 29  2  0  0  0  0
 22 44  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 30  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 31  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 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 54  1  0  0  0  0
 33 35  2  0  0  0  0
 33 55  1  0  0  0  0
 34 35  1  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
M  END

$$$$
D03CHM
  -OEChem-10191523082D

 38 39  0     1  0  0  0  0  0999 V2000
   12.0632    2.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.5000    0.0000 F   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
    6.8671    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0000    0.0000 N   0  0  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
    5.1350   -0.5000    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
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  1 23  1  0  0  0  0
  2 18  1  0  0  0  0
  9  3  1  6  0  0  0
  3 33  1  0  0  0  0
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  4 38  1  0  0  0  0
  5 14  2  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 17  1  0  0  0  0
 15 18  2  0  0  0  0
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 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
M  END

$$$$
D03CPM
  -OEChem-04152111102D

 77 81  0     1  0  0  0  0  0999 V2000
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 41 76  1  0  0  0  0
M  END

$$$$
D03CVT
  -OEChem-04152111292D

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M  END

$$$$
D03DHQ
  -OEChem-10121500192D

 33 35  0     0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D03DKR
  -OEChem-04152108482D

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 11  5  1  1  0  0  0
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 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

$$$$
D03DKV
  -OEChem-04152109482D

 79 82  0     0  0  0  0  0  0999 V2000
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 41 75  1  0  0  0  0
 41 76  1  0  0  0  0
M  END

$$$$
D03DMB
  -OEChem-04152121562D

 37 38  0     0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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  2  8  1  0  0  0  0
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 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
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 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END

$$$$
D03DPZ
  -OEChem-10121501482D

 38 41  0     0  0  0  0  0  0999 V2000
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  1 20  1  0  0  0  0
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 10 11  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D03DRR
          01210517102D 1   1.00000     0.00000     0

 23 26  0     0  0            999 V2000
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  2  1  1  0     0  0
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  9  7  1  0     0  0
 10  4  1  0     0  0
 11  9  1  0     0  0
 12  7  2  0     0  0
 13 12  1  0     0  0
 14 20  1  0     0  0
 15  6  1  0     0  0
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 17 15  1  0     0  0
 18  5  1  0     0  0
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 20 17  1  0     0  0
 21 10  2  0     0  0
 22 11  1  0     0  0
 23 21  1  0     0  0
  5  3  1  0     0  0
 13 11  2  0     0  0
 23 18  2  0     0  0
 19 14  1  0     0  0
M  END

$$$$
D03DUY
  -OEChem-10111523182D

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 29 32  2  0  0  0  0
 29 54  1  0  0  0  0
 30 33  1  0  0  0  0
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 31 34  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  1  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
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  END

$$$$
D03EOZ
  -OEChem-03141904522D

 72 76  0     1  0  0  0  0  0999 V2000
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 11  4  1  1  0  0  0
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 20  6  1  1  0  0  0
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 35 70  1  0  0  0  0
 37 38  2  0  0  0  0
 37 71  1  0  0  0  0
 38 72  1  0  0  0  0
M  END

$$$$
D03EZE
  -OEChem-10101305022D

 53 57  0     0  0  0  0  0  0999 V2000
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 35 50  1  0  0  0  0
 36 51  1  0  0  0  0
 36 52  1  0  0  0  0
 36 53  1  0  0  0  0
M  END

$$$$
D03FFL
          05131000452D 1   1.00000     0.00000     0

 53 54  0     1  0            999 V2000
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   -0.6975   -3.9538    0.0000 C   0  0  2  0  0  0           0  0  0
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 22 21  1  0     0  0
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 47 49  2  0     0  0
 24 25  1  0     0  0
  1 50  1  0     0  0
 25 21  1  0     0  0
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 26 27  1  0     0  0
  8  9  1  0     0  0
 24 28  1  1     0  0
 52 53  1  0     0  0
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT
M  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15
M  SAL   1 15  16  17  18  19  20  21  22  23  24  25  26  27  28  29  30
M  SAL   1 15  31  32  33  34  35  36  37  38  39  40  41  42  43  44  45
M  SAL   1  6  46  47  48  49  52  53
M  SBL   1  2  45  47
M  SDI   1  4   -2.1800   -4.3800   -2.1800   -3.5500
M  SDI   1  4    7.1800   -3.2800    7.1800   -4.1000
M  END

$$$$
D03FGI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -0.206   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.143   1.031   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.143   0.206   0.000  1.00  0.00           N  
HETATM   15 CL   UNL     1      -5.001  -1.444   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.001   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   16   17                                            
CONECT   15    2                                                      
CONECT   16   14   18                                                 
CONECT   17   14                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D03FLT
  -OEChem-02041521012D

 45 46  0     1  0  0  0  0  0999 V2000
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 21 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D03FOP
  -OEChem-04152111272D

 45 49  0     1  0  0  0  0  0999 V2000
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  8 26  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  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 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  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
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 24 27  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
 27 29  2  0  0  0  0
 27 43  1  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END

$$$$
D03FVS
  -OEChem-10101305022D

 50 51  0     1  0  0  0  0  0999 V2000
    6.3233   -2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9155   -2.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951   -1.9523    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2067   -0.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553   -2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -0.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5453   -3.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5653   -1.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4254   -0.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7372   -0.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1277   -1.0225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120   -3.0063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2291   -3.8558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786   -3.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0986   -1.9183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8815   -1.0688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0320   -1.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    2.4251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    3.2468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3162   -3.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9083   -3.5922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8161    0.0323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6639    0.2560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4403    1.1038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.5922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.5922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.6292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 40  1  0  0  0  0
  2  7  1  0  0  0  0
  2 41  1  0  0  0  0
  3 17  2  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  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 13  1  0  0  0  0
  7 14  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 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 19  1  0  0  0  0
 11 22  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  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 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 15 21  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  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
 23 45  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
 24 50  1  0  0  0  0
M  END

$$$$
D03GGN
          11280715392D 1   1.00000     0.00000     0

 24 25  0     0  0            999 V2000
    5.4000   -2.5292    0.0000 N   0  0  3  0  0  0           0  0  0
    5.4042   -3.3542    0.0000 C   0  0  3  0  0  0           0  0  0
    4.6750   -1.2917    0.0000 N   0  0  0  0  0  0           0  0  0
    4.6792   -2.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1500   -4.1417    0.0000 C   0  0  3  0  0  0           0  0  0
    6.1125   -2.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1042   -1.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3917   -0.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7375   -2.8667    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3250   -4.1417    0.0000 C   0  0  3  0  0  0           0  0  0
    4.0667   -3.3542    0.0000 C   0  0  3  0  0  0           0  0  0
    5.6292   -4.8042    0.0000 O   0  0  0  0  0  0           0  0  0
    3.8375   -4.8042    0.0000 O   0  0  0  0  0  0           0  0  0
    6.8167   -0.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9667   -2.5417    0.0000 O   0  0  0  0  0  0           0  0  0
    6.4542   -4.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1667   -5.5667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3875   -0.0417    0.0000 N   0  0  0  0  0  0           0  0  0
    6.7875   -3.9667    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9917   -5.6417    0.0000 O   0  0  0  0  0  0           0  0  0
    7.5292   -1.2750    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2875   -3.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9375   -5.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6875   -6.2292    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  1  1  0     0  0
  5  2  1  0     0  0
  6  1  1  0     0  0
  7  6  2  0     0  0
  8  7  1  0     0  0
  9  2  1  0     0  0
 10  5  1  0     0  0
 11  9  1  0     0  0
 12  5  1  0     0  0
 13 10  1  0     0  0
 14  7  1  0     0  0
 15  4  2  0     0  0
 16 12  1  0     0  0
 17 13  1  0     0  0
 18  8  1  0     0  0
 19 16  2  0     0  0
 20 17  2  0     0  0
 21 14  2  0     0  0
 22 11  1  0     0  0
 23 16  1  0     0  0
 24 17  1  0     0  0
  3  8  2  0     0  0
 10 11  1  0     0  0
M  ENDM  END

$$$$
D03GNI
  -OEChem-10101305022D

 47 49  0     0  0  0  0  0  0999 V2000
   11.5923    3.1618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    1.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    3.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -2.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2646   -2.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.2203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    0.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -0.3993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    0.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    3.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    1.3048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 10  1  0  0  0  0
  2 44  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 12  1  0  0  0  0
  4 17  1  0  0  0  0
  4 41  1  0  0  0  0
  5 19  2  0  0  0  0
  5 23  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 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 14  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 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 33  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  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 40  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 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 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
M  END

$$$$
D03GOO
  -OEChem-10101305022D

 12 11  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
    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
    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
    4.2690   -0.8700    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
    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  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  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  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
M  END

$$$$
D03GVG
  -OEChem-02061503582D

547550  0     1  0  0  0  0  0999 V2000
   23.9853   16.0234    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03HUX
  -OEChem-04152111222D

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    9.2258    6.0657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0249    1.8788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3281   -2.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0311    0.2588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 38  1  0  0  0  0
  2 38  1  0  0  0  0
  3 38  1  0  0  0  0
  4 34  1  0  0  0  0
  4 38  1  0  0  0  0
  5 37  1  0  0  0  0
  5 65  1  0  0  0  0
  6 36  2  0  0  0  0
  7 15  1  0  0  0  0
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  7 23  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 26  2  0  0  0  0
 11 24  2  0  0  0  0
 11 33  1  0  0  0  0
 12 31  1  0  0  0  0
 12 33  1  0  0  0  0
 12 59  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  2  0  0  0  0
 14 36  1  0  0  0  0
 14 63  1  0  0  0  0
 14 64  1  0  0  0  0
 15 17  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 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 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 26  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 24  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 28  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 25 32  2  0  0  0  0
 26 36  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 31  1  0  0  0  0
 28 56  1  0  0  0  0
 29 37  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 35  2  0  0  0  0
 30 57  1  0  0  0  0
 31 34  2  0  0  0  0
 32 58  1  0  0  0  0
 34 35  1  0  0  0  0
 35 60  1  0  0  0  0
 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
M  END

$$$$
D03HVV
  SciTegic12111210002D

 25 26  0  0  0  0            999 V2000
    4.5375   -1.0417    0.0000 C   0  0
    5.1500   -0.6917    0.0000 C   0  0
    0.8625   -1.7667    0.0000 C   0  0
    0.2500   -2.1250    0.0000 N   0  0
   -0.3708   -1.7667    0.0000 C   0  0
    3.9250   -0.6917    0.0000 O   0  0
    5.1417    0.0208    0.0000 O   0  0
    0.8542   -1.0542    0.0000 O   0  0
   -1.5958   -1.7667    0.0000 C   0  0
   -0.9833   -0.7042    0.0000 C   0  0
    1.4750   -2.1167    0.0000 C   0  0
   -0.9833   -2.1250    0.0000 C   0  0
   -0.3708   -1.0542    0.0000 C   0  0
    3.3125   -1.0500    0.0000 C   0  0
   -1.5958   -1.0625    0.0000 C   0  0
    5.7667   -1.0417    0.0000 O   0  0
    2.0875   -1.7625    0.0000 C   0  0
    3.3125   -1.7625    0.0000 C   0  0
    2.6917   -0.7000    0.0000 C   0  0
    2.7000   -2.1167    0.0000 C   0  0
    2.0792   -1.0542    0.0000 C   0  0
    4.8875   -1.6542    0.0000 C   0  0
    4.1792   -1.6542    0.0000 C   0  0
   -0.9833    0.0083    0.0000 C   0  0
   -2.2083   -2.1250    0.0000 C   0  0
  2  1  1  0
  3 11  1  0
  4  3  1  0
  5  4  1  0
  6  1  1  0
  7  2  2  0
  8  3  2  0
  9 12  1  0
 10 13  2  0
 11 17  1  0
 12  5  2  0
 13  5  1  0
 14  6  1  0
 15 10  1  0
 16  2  1  0
 17 21  1  0
 18 14  2  0
 19 14  1  0
 20 18  1  0
 21 19  2  0
 22  1  1  0
 23  1  1  0
 24 10  1  0
 25  9  1  0
 20 17  2  0
 15  9  2  0
M  END

$$$$
D03IBI
  MDL     03220707572D 1   1.00000     0.00000     0

 28 30  0     1  0            999 V2000
    4.9375   -3.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1875   -3.2000    0.0000 N   0  0  0  0  0  0           0  0  0
    4.9375   -4.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4875   -3.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4917   -3.8292    0.0000 N   0  0  0  0  0  0           0  0  0
    4.3167   -3.1375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3167   -4.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4792   -2.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4917   -4.6417    0.0000 C   0  0  1  0  0  0           0  0  0
    6.1875   -4.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7042   -4.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7042   -3.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8667   -1.9875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8542   -1.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4667   -0.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0917   -1.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0792   -1.2625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0917   -3.1375    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0917   -4.5542    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2375   -0.9375    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.6292   -5.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6292   -1.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4792   -4.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4792   -3.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8417    0.1375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8750   -5.7000    0.0000 C   0  0  0  0  0  0           0  0  0
  2  4  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  5  2  1  0     0  0
  6  1  2  0     0  0
  7  3  2  0     0  0
  8  4  1  0     0  0
  9  3  1  0     0  0
 10  9  1  0     0  0
 11 12  2  0     0  0
 12  6  1  0     0  0
 13  8  1  0     0  0
 14 13  2  0     0  0
 15 17  2  0     0  0
 16  8  2  0     0  0
 17 16  1  0     0  0
 18 12  1  0     0  0
 19 11  1  0     0  0
 20 14  1  0     0  0
 21 15  1  0     0  0
  9 22  1  1     0  0
 23 10  1  0     0  0
 24 20  1  0     0  0
 25 19  1  0     0  0
 26 18  1  0     0  0
 27 21  1  0     0  0
 28 22  1  0     0  0
 11  7  1  0     0  0
  5 10  2  0     0  0
 14 15  1  0     0  0
M  END

$$$$
D03IJO
  -OEChem-04152111122D

 46 50  0     1  0  0  0  0  0999 V2000
    2.0000   -2.3116    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -3.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.7874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.7126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.2874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3912    2.8796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.7126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7850    3.6844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    2.2126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.2874    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3961   -0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3972    0.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 13  2  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
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 10  4  1  1  0  0  0
  4 17  1  0  0  0  0
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  6 18  1  0  0  0  0
  6 29  1  0  0  0  0
  6 41  1  0  0  0  0
  7 17  2  0  0  0  0
  7 30  1  0  0  0  0
  8 25  1  0  0  0  0
  8 29  2  0  0  0  0
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  9 30  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  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  2  0  0  0  0
 14 19  1  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 18  1  0  0  0  0
 18 25  2  0  0  0  0
 19 23  2  0  0  0  0
 19 36  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 26  1  0  0  0  0
 21 38  1  0  0  0  0
 22 27  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 24 40  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  END

$$$$
D03INQ
          09011000062D 1   1.00000     0.00000     0

 28 27  0     1  0            999 V2000
    5.1292   -9.7537    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8375   -9.7537    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4834   -9.1417    0.0000 C   0  0  3  0  0  0           0  0  0
    0.5709   -9.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0334  -11.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1334   -8.7792    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4292  -10.9417    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0209   -9.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8042   -9.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4292  -10.2292    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0791   -8.7917    0.0000 N   0  0  3  0  0  0           0  0  0
    3.6459  -10.9417    0.0000 N   0  0  3  0  0  0           0  0  0
    1.8042   -9.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0459   -9.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3959   -8.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0334  -12.0125    0.0000 O   0  0  0  0  0  0           0  0  0
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  7 10  1  0     0  0
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 10 13  1  0     0  0
 11  4  1  0     0  0
 12  5  1  0     0  0
 13  9  2  0     0  0
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 15  9  1  0     0  0
 16  5  2  0     0  0
 17  4  2  0     0  0
 18 20  1  0     0  0
 19  8  1  0     0  0
  3 18  1  0     0  0
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 25 12  1  0     0  0
 14 10  2  0     0  0
  3  2  1  0     0  0
  3 26  1  0     0  0
 28 27  1  0     0  0
M  END

$$$$
D03ISJ
  -OEChem-04152110422D

 32 35  0     1  0  0  0  0  0999 V2000
    2.0000   -0.9895    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    1.8711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942    2.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7384   -0.8888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991    0.7469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567   -0.4525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7435   -0.9895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5318   -1.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3959   -2.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1416   -1.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3717    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868   -0.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3444    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0512   -0.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9429   -1.7730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5041   -2.3069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6797   -1.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8626    2.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384    0.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 28  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  5 29  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 11  1  0  0  0  0
  7 21  1  6  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 10  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
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D03IXK
  -OEChem-10121501492D

 46 49  0     1  0  0  0  0  0999 V2000
    6.8671    2.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    2.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    1.1377    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.3623    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
    9.5331    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155    3.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0688    0.8048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9353    2.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.5523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 18  1  0  0  0  0
  2 44  1  0  0  0  0
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  3 45  1  0  0  0  0
  4 26  1  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  6  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  6  0  0  0
  6 28  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 12 19  2  0  0  0  0
 12 31  1  0  0  0  0
 13 18  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 32  1  0  0  0  0
 15 22  2  0  0  0  0
 15 33  1  0  0  0  0
 16 23  1  0  0  0  0
 16 34  1  0  0  0  0
 17 24  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 36  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 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 26  2  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
M  END

$$$$
D03JCA
  SciTegic01161211222D

 22 25  0  0  0  0            999 V2000
   -0.6286   -0.2129    0.0000 C   0  0
   -1.3358   -0.6277    0.0000 C   0  0
   -2.0508   -0.2237    0.0000 C   0  0
   -2.0585    0.6071    0.0000 C   0  0
   -2.7779    1.0136    0.0000 C   0  0
   -3.4942    0.5937    0.0000 C   0  0
   -3.4865   -0.2371    0.0000 C   0  0
   -2.7624   -0.6480    0.0000 C   0  0
   -3.1838   -1.3603    0.0000 C   0  0
   -2.3576   -1.3603    0.0000 C   0  0
   -1.3460    1.0193    0.0000 C   0  0
   -0.6286    0.6118    0.0000 C   0  0
   -0.6417    2.2590    0.0000 C   0  0
   -1.3557    1.8421    0.0000 C   0  0
    0.0756    1.8514    0.0000 C   0  0
    0.0785    1.0268    0.0000 C   0  0
    0.8637    0.7747    0.0000 O   0  0
    1.3462    1.4436    0.0000 C   0  0
    0.8590    2.1090    0.0000 C   0  0  2  0  0  0
   -0.6467    3.0852    0.0000 O   0  0
   -2.0746    2.2492    0.0000 O   0  0
    1.1115    2.8956    0.0000 C   0  0
  8 10  1  0
 11 12  1  0
  3  2  2  0
  2  1  1  0
  3  4  1  0
 11 14  1  0
 12 16  1  0
 15 13  1  0
 13 14  1  0
 15 16  2  0
  3  8  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
  1 12  2  0
 13 20  2  0
  8  9  1  0
 14 21  2  0
 11  4  2  0
 19 22  1  1
M  ENDM  END

$$$$
D03JDA
          10070900352D 1   1.00000     0.00000     0

 33 34  0     1  0            999 V2000
    1.4207    0.0828    0.0000 C   0  0  2  0  0  0           0  0  0
    2.1724    1.2517    0.0000 N   0  0  3  0  0  0           0  0  0
    0.7517    0.5724    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1655   -0.7000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8828    1.6586    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4586    1.6586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0862    0.0828    0.0000 C   0  0  1  0  0  0           0  0  0
    0.3379   -0.7000    0.0000 C   0  0  1  0  0  0           0  0  0
    2.8828    2.4828    0.0000 N   0  0  0  0  0  0           0  0  0
    3.5966    1.2448    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4586    2.4828    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6276    0.5000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1448   -1.3655    0.0000 O   0  0  0  0  0  0           0  0  0
    2.1724    2.9000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7448    2.8931    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3379    0.0897    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1517   -2.1931    0.0000 P   0  0  3  0  0  0           0  0  0
    2.1724    3.7241    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.0517    0.5034    0.0000 P   0  0  3  0  0  0           0  0  0
   -0.1552   -3.0172    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9759   -2.1897    0.0000 O   0  0  0  0  0  0           0  0  0
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   -1.3414    0.9207    0.0000 O   0  0  0  0  0  0           0  0  0
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   -3.4759    0.5069    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.1897    0.1000    0.0000 C   0  0  0  0  0  0           0  0  0
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   -5.6138    0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  1     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
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  6 11  2  0     0  0
  7 12  1  1     0  0
  8 13  1  6     0  0
  9 14  1  0     0  0
 11 15  1  0     0  0
 12 16  1  0     0  0
 13 17  1  0     0  0
 14 18  2  0     0  0
 16 19  1  0     0  0
 17 20  1  0     0  0
 17 21  1  0     0  0
 17 22  2  0     0  0
 19 23  1  0     0  0
 19 24  1  0     0  0
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 20 26  1  0     0  0
 23 27  1  0     0  0
 26 28  1  0     0  0
 27 29  1  0     0  0
 28 30  1  0     0  0
 29 31  1  0     0  0
 30 32  1  0     0  0
 31 33  1  0     0  0
  7  8  1  0     0  0
 11 14  1  0     0  0
M  END

$$$$
D03JJY
          11280715562D 1   1.00000     0.00000     0

 72 75  0     1  0            999 V2000
    4.4917   -8.7542    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7292   -9.9625    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0042   -6.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5292   -7.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1792   -9.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0167   -6.3417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7167  -11.6125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8292   -2.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7875   -5.1292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4375  -11.2000    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.4542   -3.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7417   -6.1667    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.9500   -8.0000    0.0000 C   0  0  0  0  0  0           0  0  0
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  2 43  1  1     0  0
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  7 23  1  0     0  0
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 10  1  2  0     0  0
 11  1  1  0     0  0
 12 37  1  0     0  0
 13 16  1  0     0  0
 14 18  2  0     0  0
 15  5  1  0     0  0
 16 22  2  0     0  0
 17 21  1  0     0  0
 18 35  1  0     0  0
 19 34  2  0     0  0
 20  9  1  0     0  0
 21  8  2  0     0  0
 22  8  1  0     0  0
 23 54  1  0     0  0
 24 11  2  0     0  0
 25 15  2  0     0  0
 26 31  1  0     0  0
 27 10  1  0     0  0
 28 12  1  0     0  0
 29 24  1  0     0  0
 30 28  2  0     0  0
  6 31  1  6     0  0
 32  2  1  0     0  0
 33 36  1  0     0  0
 34 26  1  0     0  0
 35 26  2  0     0  0
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 38 20  2  0     0  0
 41 23  2  0     0  0
 42  9  1  0     0  0
 43 59  1  0     0  0
  3 44  1  1     0  0
 45 13  1  0     0  0
 46 14  1  0     0  0
 47 17  1  0     0  0
 48 16  1  0     0  0
 49 20  1  0     0  0
 50 18  1  0     0  0
 51 19  1  0     0  0
  2 52  1  6     0  0
  3 53  1  6     0  0
 54 62  1  0     0  0
 55 25  1  0     0  0
 56 24  1  0     0  0
 57 29  1  0     0  0
 58 30  1  0     0  0
 59 61  1  0     0  0
 60 44  1  0     0  0
 61 49  1  0     0  0
 62 60  1  0     0  0
 63 46  1  0     0  0
 64 45  1  0     0  0
 65 50  1  0     0  0
 66 51  1  0     0  0
 67 47  1  0     0  0
 68 48  1  0     0  0
 69 56  1  0     0  0
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 71 57  1  0     0  0
 72 55  1  0     0  0
 27 29  2  0     0  0
 33  3  1  0     0  0
 13 17  2  0     0  0
 12  5  2  0     0  0
 25 30  1  0     0  0
 19 14  1  0     0  0
M  CHG  4   2   1   3   1  39  -1  40  -1
M  ENDM  END

$$$$
D03JLR
  -OEChem-03141904482D

 55 59  0     1  0  0  0  0  0999 V2000
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   10.0625    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 33  1  0  0  0  0
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 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
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 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END

$$$$
D03JRG
  -OEChem-10191521152D

 60 64  0     1  0  0  0  0  0999 V2000
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    1.3800   -2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 13  2  0  0  0  0
  3 23  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 44  1  0  0  0  0
  7 17  1  0  0  0  0
  7 23  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 19 21  2  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  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
 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 29  2  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 32  1  0  0  0  0
 30 57  1  0  0  0  0
 31 33  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  2  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END

$$$$
D03JRO
          01210517122D 1   1.00000     0.00000     0

 19 22  0     0  0            999 V2000
    4.9875   -3.6667    0.0000 C   0  0  3  0  0  0           0  0  0
    5.1542   -2.7792    0.0000 N   0  0  0  0  0  0           0  0  0
    4.3542   -3.3792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6292   -2.1542    0.0000 C   0  0  3  0  0  0           0  0  0
    5.6042   -3.3750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2042   -2.7042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9875   -4.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7792   -2.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3292   -2.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6000   -4.7125    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4000   -4.7167    0.0000 N   0  0  0  0  0  0           0  0  0
    3.8542   -3.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0917   -3.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5417   -2.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4542   -2.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1917   -3.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7667   -3.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0292   -2.9750    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9417   -3.0042    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  1  1  0     0  0
  6  3  2  0     0  0
  7  1  1  0     0  0
  8  5  1  0     0  0
  9  8  1  0     0  0
 10  7  2  0     0  0
 11  7  1  0     0  0
 12  3  1  0     0  0
 13  5  2  0     0  0
 14  6  1  0     0  0
 15  8  2  0     0  0
 16 12  2  0     0  0
 17 13  1  0     0  0
 18 16  1  0     0  0
 19 17  2  0     0  0
  4  6  1  0     0  0
  4  9  1  0     0  0
 15 19  1  0     0  0
 18 14  2  0     0  0
M  END

$$$$
D03JTG
  -OEChem-04152111202D

 48 51  0     0  0  0  0  0  0999 V2000
    7.3872   -3.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -0.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0927   -1.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4303   -2.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    3.0421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610   -1.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893   -2.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903   -2.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747   -3.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3291   -1.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2124   -0.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711   -2.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8646   -4.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4111   -2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886   -1.8408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2309   -3.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.8403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5319   -3.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0192   -2.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2903   -1.9867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.0074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800    4.0074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
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  3 28  1  0  0  0  0
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  5 18  2  0  0  0  0
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  8 21  1  0  0  0  0
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 10 14  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 16  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  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
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 37  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
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D03KAC
  -OEChem-10191522552D

 47 51  0     0  0  0  0  0  0999 V2000
    3.6030   -1.5374    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051    5.5374    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6030   -1.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6030   -1.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -0.5374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    1.4626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351   -0.5374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351    1.4626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938    5.4344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -2.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011    0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -3.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -3.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7370    2.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0060   -2.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0060   -4.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0060    2.6526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879   -1.1921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9830   -5.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2230   -5.5374    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 12  1  0  0  0  0
  2  9  1  0  0  0  0
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 10 27  2  0  0  0  0
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 18 21  2  0  0  0  0
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 25 30  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 43  1  0  0  0  0
 30 44  1  0  0  0  0
 31 45  1  0  0  0  0
 31 46  1  0  0  0  0
 31 47  1  0  0  0  0
M  END

$$$$
D03KGH
  -OEChem-04152110402D

 91 93  0     1  0  0  0  0  0999 V2000
    5.4641   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2500    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
    5.4641   -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
    9.7942    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03KHN
          11171000072D 1   1.00000     0.00000     0

 49 51  0     0  0            999 V2000
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 23 24  2  0     0  0
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 10  6  1  0     0  0
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 30 31  1  0     0  0
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 31 32  1  0     0  0
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 14 13  1  0     0  0
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 25  3  2  0     0  0
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 25 42  1  0     0  0
 42 43  1  0     0  0
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 43 44  1  0     0  0
 44 45  2  0     0  0
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 43 47  1  0     0  0
  1  2  2  0     0  0
 47 48  1  0     0  0
 47 49  1  0     0  0
 22 23  1  0     0  0
M  CHG  2  36   1  40  -1
M  END

$$$$
D03KHO
  -OEChem-04152111232D

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 30 55  1  0  0  0  0
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 30 57  1  0  0  0  0
M  END

$$$$
D03KLF
          06261001102D 1   1.00000     0.00000     0

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 13 14  1  0     0  0
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 39 35  2  0     0  0
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 39 40  1  0     0  0
  2 79  2  0     0  0
 15 16  2  0     0  0
  5 80  1  0     0  0
M  END

$$$$
D03LAB
  -OEChem-02041521022D

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M  END

$$$$
D03LQC
  -OEChem-04152111232D

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 73167  1  0  0  0  0
 73168  1  0  0  0  0
M  END

$$$$
D03LRU
  -OEChem-10101305032D

 94 94  0     1  0  0  0  0  0999 V2000
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 45 90  1  0  0  0  0
 45 91  1  0  0  0  0
M  END

$$$$
D03LWG
  -OEChem-10121501472D

 69 72  0     0  0  0  0  0  0999 V2000
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 31 59  1  0  0  0  0
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 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
M  END

$$$$
D03MDW
  -OEChem-04152111162D

 35 36  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
    4.5981    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  3  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
    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
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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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  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
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 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 16  2  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
 16 35  1  0  0  0  0
M  END

$$$$
D03MFQ
  -OEChem-10121501282D

 32 34  0     0  0  0  0  0  0999 V2000
    2.0000   -3.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.5950    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
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  3 13  1  0  0  0  0
  4 10  1  0  0  0  0
  4 29  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 30  1  0  0  0  0
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 18 31  1  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
M  END

$$$$
D03MLA
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    5.5686    4.1433    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D03MXK
  -OEChem-10121504082D

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 40 83  1  0  0  0  0
 41 84  1  0  0  0  0
M  END

$$$$
D03MYO
  -OEChem-04152121562D

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 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END

$$$$
D03MZJ
  -OEChem-10101305032D

 52 54  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03NGH
          12030800062D 1   1.00000     0.00000     0

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M  END

$$$$
D03NHS
  -OEChem-03141904462D

 76 80  0     0  0  0  0  0  0999 V2000
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 42 43  1  0  0  0  0
 42 76  1  0  0  0  0
M  END

$$$$
D03NJY
  -OEChem-04152110052D

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 58101  1  0  0  0  0
 60102  1  0  0  0  0
 60103  1  0  0  0  0
M  CHG  2  13  -1  15   1
M  END

$$$$
D03NLV
  -OEChem-02061504252D

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    2.0425   -0.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111   -3.7703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957    4.5312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7148    4.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5777    5.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116    4.9835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143    3.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661    3.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8349   -4.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -5.1854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677   -4.3669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -2.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -3.5362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -4.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  2  1  6  0  0  0
  3 11  1  0  0  0  0
  3 47  1  0  0  0  0
  4 10  2  0  0  0  0
  5 14  2  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  7 10  1  0  0  0  0
  7 28  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 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  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
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 38  1  0  0  0  0
 20 23  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
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 48  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 49  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  CHG  2   1   1   2  -1
M  END

$$$$
D03NMQ
          10211000412D 1   1.00000     0.00000     0

 36 36  0     0  0            999 V2000
    0.0216   -0.3786    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5824   -0.0307    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1886   -0.3786    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8094   -0.0307    0.0000 N   0  3  3  0  0  0           0  0  0
   -2.1642   -0.6431    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4428    0.5934    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4176    0.3275    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1962   -0.3817    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8100   -0.0345    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4149   -0.3824    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4149   -1.0857    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0278   -1.4412    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0278   -2.1437    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4177   -2.4874    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4287   -3.2017    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8189   -3.5572    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1997   -3.2163    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5874   -3.5696    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0181   -3.2293    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6277   -3.5833    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2401   -3.2417    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8462   -3.6083    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4654   -3.2513    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4709   -2.5530    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1020   -2.2113    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1116   -1.5052    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7096   -1.1829    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7254   -0.4940    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3225   -0.1634    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9043   -0.5200    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.8924   -1.2032    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2864   -1.5302    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.5070   -0.1945    0.0000 I   4  0  0  0  0  0           0  0  0
    0.6120   -0.0423    0.0000 P   0  0  3  0  0  0           0  0  0
    0.6141    0.6368    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7901   -0.6981    0.0000 O   0  5  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  4  6  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 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
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
  8  9  1  0     0  0
 31 32  2  0     0  0
 32 27  1  0     0  0
 30 33  1  0     0  0
  4  7  1  0     0  0
  8 34  1  0     0  0
 34  1  1  0     0  0
  1  2  1  0     0  0
 34 35  2  0     0  0
 34 36  1  0     0  0
M  CHG  2   4   1  36  -1
M  ISO  1  33 131
M  END

$$$$
D03OFN
          05220800062D 1   1.00000     0.00000     0

 28 32  0     0  0            999 V2000
    8.6333    0.9500    0.0000 N   0  3  0  0  0  0           0  0  0
    8.6333    1.6583    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4042    0.9500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0167    0.5958    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4042    1.6583    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0167    2.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2458    2.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7875    0.5958    0.0000 C   0  0  0  0  0  0           0  0  0
    9.8583    1.6583    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2458    2.7208    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4708    2.0167    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4708    2.7208    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0167    2.7208    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7875    2.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    9.8583    3.0792    0.0000 C   0  0  0  0  0  0           0  0  0
   11.1458    1.7958    0.0000 O   0  0  0  0  0  0           0  0  0
   11.1458    2.9417    0.0000 O   0  0  0  0  0  0           0  0  0
    6.1750    0.9500    0.0000 C   0  0  0  0  0  0           0  0  0
   11.5625    2.3708    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6333    3.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1583    0.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1750    1.6583    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1125    0.8833    0.0000 Cl  0  5  0  0  0  0           0  0  0
    6.7875   -0.1167    0.0000 O   0  0  0  0  0  0           0  0  0
    8.1667   -0.0958    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5583    0.6000    0.0000 O   0  0  0  0  0  0           0  0  0
    8.8708   -0.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9458    0.9542    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  4  2  0     0  0
  4  1  1  0     0  0
  5  3  1  0     0  0
  6  2  1  0     0  0
  7  2  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 11  2  0     0  0
 13  6  1  0     0  0
 14  5  1  0     0  0
 15 10  2  0     0  0
 16 11  1  0     0  0
 17 12  1  0     0  0
 18  8  2  0     0  0
 19 16  1  0     0  0
 20 10  1  0     0  0
 21  1  1  0     0  0
 22 14  2  0     0  0
 24  8  1  0     0  0
 25  4  1  0     0  0
 26 18  1  0     0  0
 27 21  1  0     0  0
 28 26  1  0     0  0
 27 25  1  0     0  0
  5  6  2  0     0  0
 15 12  1  0     0  0
 13 20  2  0     0  0
 18 22  1  0     0  0
 17 19  1  0     0  0
M  CHG  2   1   1  23  -1
M  END

$$$$
D03OGQ
  -OEChem-04152109392D

 57 59  0     1  0  0  0  0  0999 V2000
    6.3301   -5.3177    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.8177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.8177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6712   -0.9766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712    5.9516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6712    0.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6712    4.2196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1712    5.0856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1712   -0.1105    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1712   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3177    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -3.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6712    0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1712    1.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1712    1.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6712    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1712    3.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1712    3.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1712    6.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4085   -0.6834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9025    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0257    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3186    0.3279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3186   -0.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3612    1.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5636    0.1449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2538    0.5434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951   -3.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4812    1.0846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0512    2.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2912    2.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8612    3.8905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9812    4.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9812    3.6826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7081    7.1277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8612    7.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6343    6.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 33  1  0  0  0  0
  3 33  1  0  0  0  0
  4 16  2  0  0  0  0
  5 17  2  0  0  0  0
  6 18  1  0  0  0  0
  6 44  1  0  0  0  0
  7 24  1  0  0  0  0
  7 33  1  0  0  0  0
  8 12  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 17  1  0  0  0  0
 10 16  1  0  0  0  0
 10 20  1  0  0  0  0
 10 41  1  0  0  0  0
 11 32  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 32  2  3  0  0  0
 13 14  1  0  0  0  0
 13 16  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
 14 37  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
 18 19  1  0  0  0  0
 18 40  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 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  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 28  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 47  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
 29 31  2  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 33 52  1  0  0  0  0
 34 55  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
M  END

$$$$
D03ONZ
          02181000072D 1   1.00000     0.00000     0

 29 35  0     0  0            999 V2000
    4.0125   -3.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0125   -4.1125    0.0000 C   0  0  0  0  0  0           0  0  0
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  3  4  1  0     0  0
 13 14  1  0     0  0
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 14 15  2  0     0  0
  5  6  1  0     0  0
 14 16  1  0     0  0
 16  1  1  0     0  0
  7  8  2  0     0  0
 17 15  1  0     0  0
  8 17  1  0     0  0
 15 18  1  0     0  0
  2 18  1  0     0  0
  9 29  2  0     0  0
 11 19  1  0     0  0
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 20 22  2  0     0  0
  1  2  2  0     0  0
  5 21  1  0     0  0
 20 21  1  0     0  0
  1  6  1  0     0  0
  4 23  1  0     0  0
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 19 24  2  0     0  0
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 13 25  2  0     0  0
 22 23  1  0     0  0
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 26 22  1  0     0  0
 10 11  2  0     0  0
 18 27  2  0     0  0
 11 12  1  0     0  0
 23 28  2  0     0  0
  2  3  1  0     0  0
M  END

$$$$
D03OQI
  -OEChem-10121500402D

 54 57  0     0  0  0  0  0  0999 V2000
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 20 24  1  0  0  0  0
 21 48  1  0  0  0  0
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 25 50  1  0  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

$$$$
D03OSG
  -OEChem-04152109502D

 53 54  0     1  0  0  0  0  0999 V2000
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 27 50  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
M  END

$$$$
D03OVA
          04230900252D 1   1.00000     0.00000     0

 20 22  0     1  0            999 V2000
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    1.1690    2.3034    0.0000 N   0  0  0  0  0  0           0  0  0
    2.7828    1.5172    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.7276    2.5241    0.0000 C   0  0  0  0  0  0           0  0  0
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M  END

$$$$
D03PIA
          09301001012D 1   1.00000     0.00000     0

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M  END

$$$$
D03PJU
  -OEChem-10101305032D

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  1 12  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  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  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  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 10  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 30  1  0  0  0  0
  8 31  1  0  0  0  0
  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 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  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 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 24  2  0  0  0  0
 17 25  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 46  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
 21 50  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 26  1  0  0  0  0
 23 53  1  0  0  0  0
 24 27  1  0  0  0  0
 24 54  1  0  0  0  0
 25 28  2  0  0  0  0
 25 55  1  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 29  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  END

$$$$
D03PKJ
  SciTegic04021211102D

 30 34  0  0  0  0            999 V2000
   15.4276    0.3744    0.0000 C   0  0
   15.4276   -0.4523    0.0000 C   0  0
   16.1424   -0.8643    0.0000 C   0  0
   16.8553   -0.4511    0.0000 C   0  0
   16.8553    0.3800    0.0000 C   0  0
   16.1400    0.7921    0.0000 C   0  0
   17.5651    0.7890    0.0000 C   0  0
   18.2797    1.2008    0.0000 N   0  0
   14.7135    0.7858    0.0000 Cl  0  0
   16.1424   -1.6886    0.0000 O   0  0
   16.8526   -2.1002    0.0000 C   0  0
   16.8526   -2.9182    0.0000 C   0  0
   17.5787   -3.3390    0.0000 C   0  0
   18.2994   -2.9189    0.0000 C   0  0
   18.2994   -2.0889    0.0000 C   0  0
   17.5844   -1.6745    0.0000 C   0  0
   16.1505   -3.3271    0.0000 Cl  0  0
   18.9113   -1.5407    0.0000 N   0  0
   19.7152   -1.7167    0.0000 C   0  0
   20.2981   -1.1338    0.0000 C   0  0
   21.1090   -1.2614    0.0000 N   0  0
   21.4810   -0.5290    0.0000 N   0  0
   20.1657   -0.3191    0.0000 C   0  0
   20.9019    0.0501    0.0000 C   0  0
   20.9419    0.8714    0.0000 N   0  0
   20.2548    1.3209    0.0000 C   0  0
   19.5213    0.9409    0.0000 C   0  0
   19.4780    0.1249    0.0000 C   0  0
   17.7621   -0.8700    0.0000 C   0  0
   18.5791   -0.7862    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  7  8  3  0
  5  7  1  0
  1  9  1  0
  3 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 12 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 24  1  0
 23 20  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 16 29  1  0
 29 30  2  0
 18 30  1  0
M  ENDM  END

$$$$
D03PRV
          01280517592D 1   1.00000     0.00000     0

 35 35  0     0  0            999 V2000
    5.5417   -1.4292    0.0000 N   0  3  0  0  0  0           0  0  0
   -1.8208    0.6833    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2083    1.0375    0.0000 O   0  0  0  0  0  0           0  0  0
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   -2.5500   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7083   -2.7792    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.3208   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4375    1.0375    0.0000 N   0  0  3  0  0  0           0  0  0
    5.5417   -2.1375    0.0000 O   0  5  0  0  0  0           0  0  0
    6.1500   -1.0750    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8208   -0.0250    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6292   -0.0292    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5500   -1.7167    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7083   -3.4917    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9167   -0.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3125   -1.4292    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.6292    0.6833    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2417   -0.3792    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.5958    0.6833    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7000   -0.3750    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0958   -2.4292    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.1625   -2.7792    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8542   -0.0250    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5958   -0.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0167    1.0375    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.4333    1.7458    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0500    0.6833    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6292   -1.4417    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3 21  1  0     0  0
  4  1  1  0     0  0
  6  8  1  0     0  0
  7  5  1  0     0  0
  8  7  2  0     0  0
  9  2  1  0     0  0
 10  1  1  0     0  0
 11  1  2  0     0  0
 12  2  2  0     0  0
 13 20  1  0     0  0
 14  5  2  0     0  0
 15  6  2  0     0  0
 16  4  1  0     0  0
 17  4  2  0     0  0
 18 13  2  0     0  0
 19 13  1  0     0  0
 20 26  1  0     0  0
 21 28  1  0     0  0
 20 22  1  6     0  0
 23 29  2  0     0  0
 24  6  1  0     0  0
 25  5  1  0     0  0
 26 31  1  0     0  0
 27 18  1  0     0  0
 28 19  2  0     0  0
 29 17  1  0     0  0
 30 16  2  0     0  0
 31 32  1  0     0  0
 32 23  1  0     0  0
 33  9  1  0     0  0
 34  9  1  0     0  0
 35 22  1  0     0  0
 30 23  1  0     0  0
 27 21  2  0     0  0
M  CHG  2   1   1  10  -1
M  END

$$$$
D03PVQ
  -OEChem-04152110402D

124128  0     1  0  0  0  0  0999 V2000
   11.3035   -2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3530   -1.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5715   -2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584    2.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7482    2.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    3.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3035   -4.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8098   -1.0821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734    1.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5998    1.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3436    3.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03PWD
  -OEChem-04152111362D

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M  END

$$$$
D03PYD
  -OEChem-04152110412D

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 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D03QAO
  -OEChem-04152111172D

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 33 60  1  0  0  0  0
M  END

$$$$
D03QEB
  -OEChem-04152122292D

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

$$$$
D03QHC
  -OEChem-04152111232D

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 14 40  1  0  0  0  0
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 18 21  2  0  0  0  0
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 21 44  1  0  0  0  0
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 22 45  1  0  0  0  0
 23 28  1  0  0  0  0
 23 48  1  0  0  0  0
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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
 28 30  2  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
M  END

$$$$
D03QIE
  -OEChem-10101305032D

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  1  5  1  0  0  0  0
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  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  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
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  5 17  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 12  2  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
 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
M  END

$$$$
D03QKW
          04240700302D 1   1.00000     0.00000     0

 29 30  0     1  0            999 V2000
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  1  2  2  0     0  0
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 11 13  1  0     0  0
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 12 15  1  0     0  0
 13 16  1  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
 17 19  1  0     0  0
 19 20  1  0     0  0
 19 21  1  6     0  0
 20 22  1  0     0  0
 20 23  1  6     0  0
 22 24  2  0     0  0
 22 25  1  0     0  0
 24 26  1  0     0  0
 25 27  2  0     0  0
 26 28  2  0     0  0
 28 29  1  0     0  0
  7  9  1  0     0  0
 27 28  1  0     0  0
M  END

$$$$
D03QLG
  -OEChem-04152108562D

 76 83  0     1  0  0  0  0  0999 V2000
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 43 74  1  0  0  0  0
 43 75  1  0  0  0  0
 43 76  1  0  0  0  0
M  END

$$$$
D03QSS
  -OEChem-03141904522D

103105  0     1  0  0  0  0  0999 V2000
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 43100  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
 47103  1  0  0  0  0
M  CHG  2   2   1   9  -1
M  END

$$$$
D03QWO
  -OEChem-10101305022D

 32 34  0     1  0  0  0  0  0999 V2000
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    1.4631   -0.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  4  7  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 12  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  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 24  1  0  0  0  0
 11 25  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 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END

$$$$
D03QWZ
  -OEChem-02061504232D

 75 72  0     1  0  0  0  0  0999 V2000
    8.0532   -1.0172    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    5.8893    4.4701    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.7675   -4.5801    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    1.8454    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6208    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    8.3120   -1.9831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610    3.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674   -4.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    2.1042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8625    0.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0872    1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1213    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2966    0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466   -3.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044   -0.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932    0.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7316   -0.2505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5253   -1.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5823    0.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6339    1.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9109   -1.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3120   -1.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4791   -5.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
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  2 17  2  0  0  0  0
  3 10  1  0  0  0  0
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  3 20  2  0  0  0  0
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  7 67  1  0  0  0  0
  8 34  1  0  0  0  0
  8 68  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 43  2  0  0  0  0
 13 44  1  0  0  0  0
 14 44  2  0  0  0  0
 15 75  1  0  0  0  0
 21 25  1  0  0  0  0
 21 27  1  0  0  0  0
 21 31  1  0  0  0  0
 22 26  1  0  0  0  0
 22 28  1  0  0  0  0
 22 32  1  0  0  0  0
 23 37  2  0  0  0  0
 23 39  1  0  0  0  0
 23 65  1  0  0  0  0
 24 38  2  0  0  0  0
 24 40  1  0  0  0  0
 24 66  1  0  0  0  0
 25 26  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
 27 29  1  0  0  0  0
 27 51  1  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
 28 54  1  0  0  0  0
 29 33  2  0  0  0  0
 29 35  1  0  0  0  0
 30 34  2  0  0  0  0
 30 36  1  0  0  0  0
 31 43  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 44  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  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 45  1  0  0  0  0
 38 46  1  0  0  0  0
 39 59  1  0  0  0  0
 40 60  1  0  0  0  0
 41 61  1  0  0  0  0
 41 62  1  0  0  0  0
 42 63  1  0  0  0  0
 42 64  1  0  0  0  0
 45 69  1  0  0  0  0
 45 70  1  0  0  0  0
 45 71  1  0  0  0  0
 46 72  1  0  0  0  0
 46 73  1  0  0  0  0
 46 74  1  0  0  0  0
M  CHG  8   4   1   5   1   6   1  11  -1  13  -1  16  -1  18  -1  19  -1
M  CHG  2  23   1  24   1
M  END

$$$$
D03QZJ
  -OEChem-02031521022D

 49 50  0     1  0  0  0  0  0999 V2000
    6.8163    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.0843    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6823    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9503    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6823    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5484    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    7.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5016    6.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6823    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6823    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6823    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4144    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    5.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6691    5.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1932    7.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4352    7.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.7008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0867    5.8757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7604    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9513    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.7375    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 49  1  0  0  0  0
  4 17  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  7  1  0  0  0  0
  6 11  1  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 25  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 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  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
 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 16  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 16  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
 17 18  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 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  2  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

$$$$
D03RCV
  -OEChem-04152111142D

412419  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03RDS
  -OEChem-03141904512D

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111212  1  0  0  0  0
112213  1  0  0  0  0
112214  1  0  0  0  0
M  END

$$$$
D03RHZ
  -OEChem-04152110532D

 25 26  0     0  0  0  0  0  0999 V2000
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  1 15  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4 21  1  0  0  0  0
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 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

$$$$
D03RIO
  -OEChem-04152111162D

 56 60  0     1  0  0  0  0  0999 V2000
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 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 43  1  0  0  0  0
 21 25  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  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 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 28 30  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 31  2  0  0  0  0
 31 32  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
M  END

$$$$
D03RJZ
  MDL     03120710452D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
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    2.3000   -2.3500    0.0000 O   0  0  0  0  0  0           0  0  0
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 10  3  1  0     0  0
 11  8  1  0     0  0
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 14 10  1  0     0  0
 15  6  1  0     0  0
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 21 10  1  0     0  0
 22 11  1  0     0  0
 23 19  1  0     0  0
  5 14  1  0     0  0
 18 15  2  0     0  0
M  END

$$$$
D03RMN
  -OEChem-02041520552D

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 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D03RQW
          01210517062D 1   1.00000     0.00000     0

 46 52  0     0  0            999 V2000
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  2  1  1  0     0  0
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 15  4  1  0     0  0
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 15 21  2  0     0  0
 27 10  1  0     0  0
  9 12  2  0     0  0
 16 20  2  0     0  0
 25 26  2  0     0  0
 10 11  1  0     0  0
M  END

$$$$
D03RRJ
  -OEChem-10101305032D

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 56 58  1  0  0  0  0
 56 94  1  0  0  0  0
 56 95  1  0  0  0  0
M  END

$$$$
D03SHD
  -OEChem-10101305032D

 24 24  0     0  0  0  0  0  0999 V2000
    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    1.0000    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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  1  7  1  0  0  0  0
  1 24  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  1  0  0  0  0
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  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
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  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D03SKL
  -OEChem-10191523082D

 51 53  0     1  0  0  0  0  0999 V2000
    2.0000   -3.3100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.6900    0.0000 O   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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 17  8  1  1  0  0  0
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 10 21  1  0  0  0  0
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 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
M  END

$$$$
D03SQT
  -OEChem-03141904452D

 67 71  0     0  0  0  0  0  0999 V2000
    2.0000   -1.9376    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.5505    3.9376    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1904    2.6764    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.2893    3.2978    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 38 39  1  0  0  0  0
 39 67  1  0  0  0  0
M  END

$$$$
D03SUQ
  -OEChem-04152111112D

 75 76  0     0  0  0  0  0  0999 V2000
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 41 72  1  0  0  0  0
 41 73  1  0  0  0  0
M  END

$$$$
D03TBJ
  -OEChem-08301509462D

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  1 26  1  0  0  0  0
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  3  6  1  0  0  0  0
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 10 33  1  0  0  0  0
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 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
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 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 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 46  1  0  0  0  0
 19 42  1  0  0  0  0
 19 45  1  0  0  0  0
 19 47  1  0  0  0  0
 20 24  1  0  0  0  0
 20 48  1  0  0  0  0
 21 25  2  0  0  0  0
 21 49  1  0  0  0  0
 22 26  2  0  0  0  0
 22 50  1  0  0  0  0
 23 28  2  0  0  0  0
 23 51  1  0  0  0  0
 24 27  2  0  0  0  0
 24 52  1  0  0  0  0
 25 27  1  0  0  0  0
 25 53  1  0  0  0  0
 26 28  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END

$$$$
D03TDW
          01210517112D 1   1.00000     0.00000     0

 15 16  0     1  0            999 V2000
    5.7042   -2.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2792   -3.3042    0.0000 N   0  0  3  0  0  0           0  0  0
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    3.7917   -2.6417    0.0000 C   0  0  2  0  0  0           0  0  0
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    4.7167   -1.9625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9042   -1.7417    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2792   -4.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2167   -3.1292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5750   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  9  1  0     0  0
  4 11  1  0     0  0
  5 10  1  0     0  0
  6  7  1  6     0  0
  7  1  1  0     0  0
  8  2  1  0     0  0
  9  6  1  0     0  0
 10  1  2  0     0  0
 11  6  1  0     0  0
 12  3  2  0     0  0
 13  2  1  0     0  0
  9 14  1  6     0  0
 15 14  1  0     0  0
  8  5  2  0     0  0
  4  3  1  0     0  0
M  END

$$$$
D03UDF
  -OEChem-03141904472D

 49 53  0     1  0  0  0  0  0999 V2000
    9.6422    2.8070    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1788   -1.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.5768    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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  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
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  4 21  1  0  0  0  0
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  5 26  2  0  0  0  0
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  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 28  2  0  0  0  0
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 10 11  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
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 12 35  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  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
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 18 22  2  0  0  0  0
 18 40  1  0  0  0  0
 19 25  1  1  0  0  0
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 20 23  2  0  0  0  0
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 21 24  2  0  0  0  0
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 23 44  1  0  0  0  0
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 24 28  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 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D03UIB
          01210517132D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
    3.2125   -2.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3375   -2.8625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4250   -3.5375    0.0000 N   0  0  3  0  0  0           0  0  0
    3.7750   -2.4542    0.0000 S   0  0  0  0  0  0           0  0  0
    4.1167   -3.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4792   -2.8750    0.0000 N   0  0  0  0  0  0           0  0  0
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    2.3042   -3.5917    0.0000 C   0  0  3  0  0  0           0  0  0
    2.9000   -3.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9417   -1.8250    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5417   -2.8792    0.0000 N   0  0  0  0  0  0           0  0  0
    4.5417   -4.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1542   -2.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3750   -2.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6917   -3.2500    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.3625   -1.8292    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.6000   -1.8292    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  1  1  0     0  0
  5  3  1  0     0  0
  6  1  2  0     0  0
  7  2  1  0     0  0
  8  6  1  0     0  0
  9  3  1  0     0  0
 10  7  2  0     0  0
 11  7  1  0     0  0
 12  5  1  0     0  0
 13 11  1  0     0  0
 14 17  1  0     0  0
 15  8  1  0     0  0
 16  8  1  0     0  0
 17 13  1  0     0  0
 18 14  1  0     0  0
 19 14  2  0     0  0
 20 19  1  0     0  0
 21 18  2  0     0  0
 22 20  2  0     0  0
  9  8  1  0     0  0
  2  5  2  0     0  0
 21 22  1  0     0  0
M  END

$$$$
D03UKJ
  -OEChem-10101305022D

 50 53  0     0  0  0  0  0  0999 V2000
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    3.3660   -1.4663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2098    3.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03UVL
  -OEChem-04152109382D

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M  END

$$$$
D03VPJ
  -OEChem-10101305022D

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 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D03VYZ
  -OEChem-04152110522D

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 36 53  1  0  0  0  0
 36 54  1  0  0  0  0
M  END

$$$$
D03WAT
  -OEChem-04152121572D

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 26 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

$$$$
D03WAU
  -OEChem-10101305032D

 82 85  0     1  0  0  0  0  0999 V2000
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 39 40  2  0  0  0  0
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 40 82  1  0  0  0  0
M  END

$$$$
D03WNG
  -OEChem-03141904492D

 63 68  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03WOW
          01280517592D 1   1.00000     0.00000     0

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 54 47  1  0     0  0
M  END

$$$$
D03WQS
  -OEChem-10191522552D

 56 59  0     1  0  0  0  0  0999 V2000
   12.2820   -0.3409    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -1.3409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -1.8409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0943   -3.1457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -2.8409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6840   -2.8409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179   -1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1200    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2149   -1.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1481   -1.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6840   -1.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1481   -2.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4160   -1.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2820   -1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0943   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2820   -3.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    2.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4160   -2.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6779   -2.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    2.3320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8179   -3.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    2.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    2.0029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2820   -3.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8791   -3.1509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6779   -1.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.1980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    3.7350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
 14  4  1  6  0  0  0
  4 31  1  0  0  0  0
  5 31  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  1  0  0  0  0
  7 41  1  0  0  0  0
  8 30  2  0  0  0  0
  9 18  2  0  0  0  0
  9 30  1  0  0  0  0
 29 10  1  6  0  0  0
 10 55  1  0  0  0  0
 10 56  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  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
 17 19  2  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 19 25  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 23  2  0  0  0  0
 21 27  1  0  0  0  0
 22 24  2  0  0  0  0
 22 28  1  0  0  0  0
 24 40  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
 26 44  1  0  0  0  0
 26 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 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 50  1  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  END

$$$$
D03WRJ
  -OEChem-10101305032D

 40 41  0     1  0  0  0  0  0999 V2000
    2.5369    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114   -0.8047    0.0000 N   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
    6.8671    1.0000    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
    9.4651    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9950    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7220    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2656    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6150    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3113    1.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9146    2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1327    1.9479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14  1  1  6  0  0  0
  1 40  1  0  0  0  0
  2 13  2  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 16  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
  7 15  1  0  0  0  0
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  8  9  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 23  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 14  1  0  0  0  0
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 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 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 33  1  0  0  0  0
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 19 35  1  0  0  0  0
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 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D03XAO
  -OEChem-03141904522D

 17 16  0     0  0  0  0  0  0999 V2000
    4.0981    0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9641   -0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 16  1  0  0  0  0
  9 16  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END

$$$$
D03XCR
  -OEChem-04152110312D

120126  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03XHS
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M  END

$$$$
D03XTY
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M  END

$$$$
D03YAS
  -OEChem-10111523202D

 62 63  0     1  0  0  0  0  0999 V2000
    9.7844    3.2150    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    2.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4179    4.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9159    4.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3807    2.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1391    3.1639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5211    3.1639    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8301    4.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0902    2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5275    3.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1728    3.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7991    2.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5788    2.4731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1244    4.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3448    3.9057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1093    3.2697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5128    4.7916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7332    4.6259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -5.4609    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
 10  2  1  6  0  0  0
  2 41  1  0  0  0  0
  3 12  2  0  0  0  0
 17  4  1  1  0  0  0
  4 50  1  0  0  0  0
  5 28  1  0  0  0  0
  5 30  1  0  0  0  0
  6 29  1  0  0  0  0
  6 59  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  1  0  0  0
  8 31  1  0  0  0  0
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  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  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
 16 17  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
 18 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
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 25  1  0  0  0  0
 22 51  1  0  0  0  0
 23 29  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 26  2  0  0  0  0
 24 54  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  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
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END

$$$$
D03YKE
  -OEChem-10191522552D

 42 44  0     0  0  0  0  0  0999 V2000
   11.2632    1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6550    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
    8.5991    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931   -0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312    0.6825    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
   12.1350   -0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9953    1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0030   -0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632    0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8671   -0.3108    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
    9.4859    1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9349   -0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993   -0.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3989    1.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4052   -0.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5350    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 11  1  0  0  0  0
  2 34  1  0  0  0  0
  3 18  2  0  0  0  0
  4 26  1  0  0  0  0
  4 42  1  0  0  0  0
  5 26  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  2  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 27  1  0  0  0  0
 13 18  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
 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
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 26  1  0  0  0  0
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 21 23  1  0  0  0  0
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 22 24  2  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
M  END

$$$$
D03YKQ
          03231000382D 1   1.00000     0.00000     0

 29 30  0     1  0            999 V2000
   -0.0417   -0.3708    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5750   -0.0125    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.6584   -0.0166    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5791   -1.4333    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6625    0.6917    0.0000 C   0  0  3  0  0  0           0  0  0
    1.1916   -0.3666    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8000   -0.0083    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.0375   -1.0833    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1916   -1.0791    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5750   -2.1375    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.6542   -2.1333    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.0417   -2.4958    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.0500    1.0500    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.0167    1.3084    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.3750    0.7000    0.0000 F   0  0  0  0  0  0           0  0  0
    2.4166   -0.3625    0.0000 F   0  0  0  0  0  0           0  0  0
    2.1541    0.6125    0.0000 F   0  0  0  0  0  0           0  0  0
    1.4416    0.6125    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.2750   -0.3750    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1875   -2.5000    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6542   -1.4375    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2709   -1.0875    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2667   -2.4916    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0417   -3.2041    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2709   -3.2000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6584   -3.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5791   -2.8458    0.0000 H   0  0  0  0  0  0           0  0  0
    2.7375   -1.9375    0.0000 H   0  0  0  0  0  0           0  0  0
    3.4458   -1.9375    0.0000 Cl  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  3  1  0     0  0
  6  2  2  0     0  0
  7  6  1  0     0  0
  8  1  2  0     0  0
  9  4  2  0     0  0
 10  4  1  0     0  0
 11 12  1  0     0  0
 12 10  1  0     0  0
 13  5  1  0     0  0
 14  5  1  0     0  0
 15  5  1  0     0  0
 16  7  1  0     0  0
 17  7  1  0     0  0
 18  7  1  0     0  0
 19  3  2  0     0  0
 10 20  1  6     0  0
 21  8  1  0     0  0
 22 19  1  0     0  0
 23 11  1  0     0  0
 24 12  1  0     0  0
 25 26  1  0     0  0
 26 24  1  0     0  0
 12 27  1  6     0  0
 21 22  2  0     0  0
  6  9  1  0     0  0
 23 25  1  0     0  0
 28 29  1  0     0  0
M  END

$$$$
D03YOS
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    6.8671    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
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 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
M  END

$$$$
D03YSQ
  -OEChem-04152109502D

 72 76  0     1  0  0  0  0  0999 V2000
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 36 38  2  0  0  0  0
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 37 70  1  0  0  0  0
 38 71  1  0  0  0  0
M  END

$$$$
D03YXI
  -OEChem-02041521182D

 27 27  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03YZJ
          01111100062D 1   1.00000     0.00000     0

 48 57  0     1  0            999 V2000
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    8.9917   -3.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0917   -2.2042    0.0000 O   0  0  0  0  0  0           0  0  0
    8.4542   -2.2625    0.0000 O   0  0  0  0  0  0           0  0  0
    4.6292   -4.4667    0.0000 O   0  0  0  0  0  0           0  0  0
    8.9667   -4.5042    0.0000 O   0  0  0  0  0  0           0  0  0
    5.6000   -3.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2250   -3.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6000   -4.4667    0.0000 O   0  0  0  0  0  0           0  0  0
    1.2250   -4.4292    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2000   -1.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5125   -4.4292    0.0000 C   0  0  0  0  0  0           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  6  2  0     0  0
 10  5  2  0     0  0
  7 11  1  6     0  0
  8 12  1  6     0  0
 13  3  1  0     0  0
 14  4  1  0     0  0
 15 30  1  0     0  0
 16  5  1  0     0  0
 17  6  1  0     0  0
 18 17  1  0     0  0
 19 16  1  0     0  0
 20 32  1  0     0  0
  2 21  1  1     0  0
  1 22  1  1     0  0
 23  4  1  0     0  0
 24  3  1  0     0  0
 25  7  1  0     0  0
 26  8  1  0     0  0
 27 15  1  0     0  0
 28  9  1  0     0  0
 29 10  1  0     0  0
 30 21  1  0     0  0
 31 27  1  0     0  0
 32 22  1  0     0  0
 33 31  1  0     0  0
 34 31  1  0     0  0
 35 16  2  0     0  0
 36 17  2  0     0  0
 37 25  1  0     0  0
 38 26  1  0     0  0
  4 39  1  1     0  0
  3 40  1  1     0  0
 41 25  2  0     0  0
 42 26  2  0     0  0
 43 36  1  0     0  0
 44 35  1  0     0  0
 45 28  1  0     0  0
 46 29  1  0     0  0
 47 20  1  0     0  0
 48 46  1  0     0  0
 10 11  1  0     0  0
 14 20  1  1     0  0
 37 23  1  0     0  0
 14 19  1  0     0  0
 44 29  2  0     0  0
  9 12  1  0     0  0
 13 15  1  1     0  0
 38 24  1  0     0  0
 13 18  1  0     0  0
 43 28  2  0     0  0
 33 34  1  0     0  0
M  END

$$$$
D03ZDX
  -OEChem-04152110532D

 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
    3.7320   -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
    3.7320   -1.5000    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
    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
    2.2554    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    0.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    0.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120    2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5420    2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1900    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
    4.2690   -1.8100    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
    5.1350    3.3100    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
  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

$$$$
D03ZIS
  -OEChem-04152109362D

 31 31  0     1  0  0  0  0  0999 V2000
    2.0000   -1.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.3870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.0771    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
    5.8660    0.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680    2.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680    3.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.7890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340    0.5771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340    1.5770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0000    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970    1.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    2.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    2.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970    0.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766    1.4694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781    2.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -0.5769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -2.0535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -1.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -2.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -2.1225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -2.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310    3.3870    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  4  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  1  0  0  0
  3  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
 10  5  1  6  0  0  0
  7 31  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 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 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 21  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
 13 24  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 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
M  END

$$$$
D03ZKM
  -OEChem-04152109062D

 40 40  0     1  0  0  0  0  0999 V2000
    5.1350   -0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.1160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    0.1160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.3840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    0.1160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7690   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8711   -0.3090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -1.4666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    1.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    1.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    3.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    3.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
 13  2  1  6  0  0  0
  2 30  1  0  0  0  0
 15  3  1  1  0  0  0
  3 33  1  0  0  0  0
 16  4  1  6  0  0  0
  4 34  1  0  0  0  0
 17  5  1  6  0  0  0
  5 35  1  0  0  0  0
  6 18  1  0  0  0  0
  6 39  1  0  0  0  0
  7 19  1  0  0  0  0
  7 40  1  0  0  0  0
  8 18  2  0  0  0  0
  9 20  2  0  0  0  0
 11 10  1  1  0  0  0
 10 20  1  0  0  0  0
 10 29  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 15  1  0  0  0  0
 12 23  1  1  0  0  0
 13 14  1  0  0  0  0
 13 24  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 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  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

$$$$
D03ZLR
  -OEChem-03141904512D

 73 75  0     1  0  0  0  0  0999 V2000
    6.4215   -0.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6657   -0.9550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1260   -0.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2312    2.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -1.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8550   -0.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4395    1.2392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7659    1.1112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9528    0.2040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8096    0.6954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3902    1.2332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3056    0.7392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0487    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6474    2.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6420    2.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7170    1.4202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8056   -0.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260    0.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7170    2.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9747   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7659    2.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1781    1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8056   -1.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569    0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6960    0.8731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4788   -0.0477    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6716   -1.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9395   -1.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4881    1.8512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1697   -0.9988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
M  END

$$$$
D03ZME
  -OEChem-10101305022D

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M  END

$$$$
D03ZPX
          09290900062D 1   1.00000     0.00000     0

 31 32  0     0  0            999 V2000
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 13 14  2  0     0  0
 29 30  1  0     0  0
  2  3  1  0     0  0
M  END

$$$$
D03ZXZ
  -OEChem-04152122322D

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 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
M  END

$$$$
D04AEQ
  -OEChem-04152111202D

 51 55  0     1  0  0  0  0  0999 V2000
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 30 49  1  0  0  0  0
M  END

$$$$
D04AHQ
  -OEChem-04152111282D

 60 62  0     0  0  0  0  0  0999 V2000
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 28 53  1  0  0  0  0
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 29 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

$$$$
D04AHY
  -OEChem-10191523082D

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 26 40  1  0  0  0  0
M  END

$$$$
D04AMD
          08070800062D 1   1.00000     0.00000     0

 30 32  0     1  0            999 V2000
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 11  7  1  0     0  0
 12  1  1  0     0  0
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 16  5  2  0     0  0
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  6  9  1  0     0  0
M  END

$$$$
D04AZM
  -OEChem-04152111342D

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 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 33  2  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 37  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
 38 39  2  0  0  0  0
 38 63  1  0  0  0  0
 39 64  1  0  0  0  0
 40 42  1  0  0  0  0
 40 65  1  0  0  0  0
 41 43  2  0  0  0  0
 41 66  1  0  0  0  0
 42 44  2  0  0  0  0
 43 44  1  0  0  0  0
 43 67  1  0  0  0  0
 44 68  1  0  0  0  0
 45 69  1  0  0  0  0
 45 70  1  0  0  0  0
M  CHG  4   3   1   4   1  10  -1  11  -1
M  END

$$$$
D04BEN
  -OEChem-04152109002D

 60 64  0     1  0  0  0  0  0999 V2000
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    3.7028   -3.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840    3.5303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    2.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4780    0.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4780   -3.5587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0636   -2.0488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0636   -2.0449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0636   -1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9697   -0.4894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9697   -2.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2724    2.5304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.0703   -3.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4896   -2.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3957   -1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3957   -2.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3268   -0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3268   -2.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2706   -0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2706   -2.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545   -0.4196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527   -1.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4357   -0.1743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760   -3.0378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3743   -3.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615    1.3242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279   -2.3609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7515   -1.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3514    2.6005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8602    1.7367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2666    0.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927   -3.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8245    3.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3197    0.1736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3197   -3.2218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8063   -0.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8063   -2.3787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
 17  1  1  6  0  0  0
  2 17  1  0  0  0  0
  2 26  1  0  0  0  0
  3 19  1  0  0  0  0
  3 53  1  0  0  0  0
  4 20  1  0  0  0  0
  4 54  1  0  0  0  0
  5 18  2  0  0  0  0
 24  6  1  1  0  0  0
  6 55  1  0  0  0  0
 25  7  1  1  0  0  0
  7 56  1  0  0  0  0
  8 28  2  0  0  0  0
  9 29  2  0  0  0  0
 11 10  1  6  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 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  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 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  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 27  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  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 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  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
 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 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 57  1  0  0  0  0
 33 35  1  0  0  0  0
 33 58  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
M  END

$$$$
D04BFC
  Marvin  10201522252D          

 41 46  0  0  1  0            999 V2000
    2.2111    1.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    0.9858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9811    0.3183    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1561    0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436   -0.3961    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0814   -0.3961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6647    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481   -0.3961    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6647   -0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0731   -0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4856    0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106    0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7955    0.9858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5801    0.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0091   -0.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4931   -1.5728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 14 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  5 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  3 28  1  0  0  0  0
 29 28  1  6  0  0  0
 29 30  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  1  0  0  0
 29 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 32 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
 40 41  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  16
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END

$$$$
D04BFU
  -OEChem-10121501332D

 37 40  0     0  0  0  0  0  0999 V2000
    5.5443    0.8882    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3070    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5508   -3.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5443    2.4977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6166    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8229   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7734   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    1.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1070   -0.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04BKO
  -OEChem-03141904502D

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M  END

$$$$
D04BLE
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M  END

$$$$
D04BPS
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 27 11  2  0     0  0
 28 12  1  0     0  0
 29 26  2  0     0  0
 30 27  1  0     0  0
 31 29  1  0     0  0
 17 10  2  0     0  0
 15  7  1  0     0  0
 31 30  2  0     0  0
M  END

$$$$
D04BQV
  -OEChem-04152109062D

 39 38  0     1  0  0  0  0  0999 V2000
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 12  1  1  6  0  0  0
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 13  2  1  1  0  0  0
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  3 16  1  0  0  0  0
  3 33  1  0  0  0  0
 17  4  1  1  0  0  0
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 18  5  1  1  0  0  0
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  7 20  1  0  0  0  0
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 10 14  1  0  0  0  0
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 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D04BSV
  -OEChem-02041521102D

188194  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04BUH
  -OEChem-10101305022D

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

$$$$
D04BXX
          11051001092D 1   1.00000     0.00000     0

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

$$$$
D04CDO
  -OEChem-10101305032D

 60 61  0     1  0  0  0  0  0999 V2000
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 22 23  1  6  0  0  0
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 25 27  1  0  0  0  0
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 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
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 30 32  1  0  0  0  0
 30 34  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
 33 35  2  0  0  0  0
 35 36  1  0  0  0  0
M  END

$$$$
D04CJE
  -OEChem-04152111192D

 66 69  0     0  0  0  0  0  0999 V2000
    5.1319   -0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3940    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 55  1  0  0  0  0
 31 35  1  0  0  0  0
 31 56  1  0  0  0  0
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 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 36  3  0  0  0  0
 36 66  1  0  0  0  0
M  END

$$$$
D04CLM
  -OEChem-04152110462D

 66 69  0     1  0  0  0  0  0999 V2000
   10.7609    4.9933    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0803   -1.9215    0.0000 H   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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 15 21  1  0  0  0  0
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 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
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 20 23  2  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 24  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
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 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
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 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 32  1  0  0  0  0
 30 63  1  0  0  0  0
 31 33  2  0  0  0  0
 31 64  1  0  0  0  0
 32 34  2  0  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
 33 66  1  0  0  0  0
M  END

$$$$
D04CQV
  -OEChem-04152109092D

 16 16  0     0  0  0  0  0  0999 V2000
    2.0544    1.3044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486    0.9442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2839   -0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0929   -1.9108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4916   -0.8946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1833    1.9108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  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 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  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
M  END

$$$$
D04DFR
  -OEChem-10101305022D

 27 29  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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  6  8  1  0  0  0  0
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  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
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 10 15  2  0  0  0  0
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 13 14  1  0  0  0  0
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 16 25  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 19 26  1  0  0  0  0
M  END

$$$$
D04DJS
  -OEChem-04152109212D

 47 48  0     1  0  0  0  0  0999 V2000
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    3.7320    1.7500    0.0000 C   0  0  3  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
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M  END

$$$$
D04DQZ
          07071101152D 1   1.00000     0.00000     0

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M  END

$$$$
D04DSD
  -OEChem-02041520542D

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M  END

$$$$
D04DYC
  -OEChem-04152110492D

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  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  2  0  0  0  0
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 13 21  1  6  0  0  0
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 18 30  1  0  0  0  0
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 21 37  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

$$$$
D04EFK
  -OEChem-10101305032D

 45 46  0     0  0  0  0  0  0999 V2000
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 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D04EIF
  -OEChem-04152108472D

 41 43  0     1  0  0  0  0  0999 V2000
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    6.0873    3.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.0635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    0.0635    0.0000 N   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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 12  7  1  1  0  0  0
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 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D04EMB
  -OEChem-03141904512D

 51 54  0     0  0  0  0  0  0999 V2000
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 27 30  1  0  0  0  0
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 29 32  2  0  0  0  0
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 31 45  1  0  0  0  0
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 34 36  1  0  0  0  0
 34 48  1  0  0  0  0
 35 36  2  0  0  0  0
 35 49  1  0  0  0  0
 36 50  1  0  0  0  0
 37 51  1  0  0  0  0
M  END

$$$$
D04EON
          05011000172D 1   1.00000     0.00000     0

 42 43  0     1  0            999 V2000
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    6.8083   -7.3125    0.0000 Cl  0  0  0  0  0  0           0  0  0
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    5.8915   -5.2391    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2820   -4.6617    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.3285   -5.7859    0.0000 N   0  0  0  0  0  0           0  0  0
    2.2676  -10.0474    0.0000 N   0  0  0  0  0  0           0  0  0
    2.8797   -9.6932    0.0000 C   0  0  2  0  0  0           0  0  0
    3.4958  -10.0474    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4958  -10.7557    0.0000 O   0  0  0  0  0  0           0  0  0
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    4.7395   -8.6402    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7449   -7.9338    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1128   -9.6994    0.0000 N   0  0  0  0  0  0           0  0  0
    6.0383   -3.9966    0.0000 N   0  0  0  0  0  0           0  0  0
    6.4923   -3.4530    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2000   -3.4500    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5516   -2.8351    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9000   -2.2167    0.0000 N   0  0  0  0  0  0           0  0  0
  3  4  1  0     0  0
  1  2  1  0     0  0
 10 11  1  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 27 23  1  0     0  0
 22 19  1  0     0  0
 23 24  1  0     0  0
 20 21  1  0     0  0
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 19 20  2  0     0  0
 23 22  2  0     0  0
 24 25  1  0     0  0
 11 12  1  0     0  0
 25 28  1  0     0  0
 12 13  2  0     0  0
 28 29  1  0     0  0
 11 14  1  1     0  0
 29 30  1  0     0  0
 14 15  1  0     0  0
 29 31  2  0     0  0
 15 16  1  0     0  0
 30 32  2  0     0  0
 16 17  1  0     0  0
 32 33  1  0     0  0
 17 18  1  0     0  0
 33 34  2  0     0  0
 34 35  1  0     0  0
 35 36  2  0     0  0
 36 30  1  0     0  0
 34 37  1  0     0  0
 37 12  1  0     0  0
 26  5  1  0     0  0
  5  6  1  0     0  0
  6 38  1  0     0  0
  6  7  2  0     0  0
 38 39  1  0     0  0
  7  8  1  0     0  0
 39 40  1  0     0  0
  8  9  1  0     0  0
 40 41  1  0     0  0
  9  5  2  0     0  0
 41 42  3  0     0  0
M  END

$$$$
D04ERQ
  -OEChem-04152111142D

 59 62  0     0  0  0  0  0  0999 V2000
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    6.3092    3.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    4.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -4.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -4.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5772    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -5.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9198   -1.7758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5213   -1.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3652   -3.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5213   -3.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5782    4.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  2  0  0  0  0
  5 23  1  0  0  0  0
  5 25  1  0  0  0  0
  5 53  1  0  0  0  0
  6 26  1  0  0  0  0
  6 58  1  0  0  0  0
  6 59  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  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 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 38  1  0  0  0  0
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 13 14  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
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 15 42  1  0  0  0  0
 16 20  2  0  0  0  0
 16 43  1  0  0  0  0
 17 22  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  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
 24 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 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  2  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D04FDN
  -OEChem-10101305022D

 22 21  0     0  0  0  0  0  0999 V2000
    2.0000   -0.1415    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1415    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.9641   -1.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2741    1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 10  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 22  1  0  0  0  0
  6  9  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 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  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
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END

$$$$
D04FGX
  -OEChem-08301509492D

 43 44  0     1  0  0  0  0  0999 V2000
    5.2400    4.3645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9720    4.3645    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.7540    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7540    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060    3.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7540    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    6.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2170    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0230    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0230    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1569    8.6200    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 22  1  0  0  0  0
  3 42  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  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  6 14  1  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
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  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
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 10 16  1  0  0  0  0
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 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 33  1  0  0  0  0
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 14 34  1  0  0  0  0
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 15 35  1  0  0  0  0
 16 36  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 21  2  0  0  0  0
 18 39  1  0  0  0  0
 19 22  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
M  END

$$$$
D04FKX
  -OEChem-04152109462D

 58 60  0     1  0  0  0  0  0999 V2000
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    2.0000   -0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5069    1.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2034    1.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0391    2.5142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5522   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4277   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 17  1  0  0  0  0
 13 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 41  1  0  0  0  0
 16 42  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 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  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 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
 26 52  1  0  0  0  0
 26 53  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
M  END

$$$$
D04FMB
  -OEChem-02041521072D

 37 38  0     1  0  0  0  0  0999 V2000
   14.1904   -1.5068    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5173    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0173    0.0000 C   0  0  3  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
    8.0622   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4202   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4131   -2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8620    0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
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 10 14  2  0  0  0  0
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 13 21  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 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
 19 22  2  0  0  0  0
 20 24  2  0  0  0  0
 20 34  1  0  0  0  0
 21 25  2  0  0  0  0
 21 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
M  CHG  2   2   1   5  -1
M  END

$$$$
D04FNQ
  -OEChem-10101305032D

 38 39  0     0  0  0  0  0  0999 V2000
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    7.7998    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1120   -3.5000    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
    4.3520   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.5000    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
    4.8441    3.5000    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 18  1  0  0  0  0
  3 11  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
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  5 21  1  0  0  0  0
  6 18  2  0  0  0  0
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  8  9  2  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  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  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 17  1  0  0  0  0
 17 26  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  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
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 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
M  END

$$$$
D04FVD
  -OEChem-10101305022D

 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  3  0  0  0  0  0  0  0  0  0
    3.7208   -2.0817    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2208   -0.5429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7208   -2.0817    0.0000 C   0  0  3  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
    5.0868    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8108   -1.7317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8813   -1.9487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4635   -0.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604   -1.9487    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
    5.4795   -3.4867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -3.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  1  0  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
  7 11  1  0  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  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 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

$$$$
D04FXY
  -OEChem-04152111142D

 46 51  0     0  0  0  0  0  0999 V2000
   11.8062    0.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836   -0.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8062   -1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836    1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3898   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3898   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3898   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8898    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8898   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8898    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8898   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5910   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9988    0.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910   -0.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5798    0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5798   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1998    0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1998   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  1 35  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  2 36  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  2  0  0  0  0
  4 12  1  0  0  0  0
  4 20  2  0  0  0  0
  5 27  2  0  0  0  0
  5 29  1  0  0  0  0
  6 28  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 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 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 39  1  0  0  0  0
 24 28  1  0  0  0  0
 24 40  1  0  0  0  0
 25 29  2  0  0  0  0
 25 41  1  0  0  0  0
 26 30  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  END

$$$$
D04FYZ
  -OEChem-10101305022D

 64 67  0     1  0  0  0  0  0999 V2000
    7.0468   -0.9827    0.0000 F   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
    5.3147    4.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9913   -0.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    4.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.9827    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.0468    2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0029   -4.0174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090   -2.4619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.0228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    2.4240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.5173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1090   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0029   -1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090   -3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7731   -4.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9003   -1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2988   -2.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -1.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.8973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    1.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    1.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -4.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5890   -1.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    2.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502    2.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2009   -3.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9739   -4.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8209   -4.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1818    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9957   -4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4610   -4.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3088   -4.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0851   -3.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04GEI
  -OEChem-04152111212D

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M  END

$$$$
D04GKL
  SciTegic11301210262D

 20 21  0  0  0  0            999 V2000
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 13  9  1  0
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 17  4  1  0
 18  5  1  0
 19  6  1  0
 20 13  1  0
 11  8  1  0
  4  3  2  0
M  END

$$$$
D04GLJ
  -OEChem-04152109402D

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 27 54  1  0  0  0  0
M  END

$$$$
D04GMY
  -OEChem-10191523032D

 71 74  0     1  0  0  0  0  0999 V2000
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 35 71  1  0  0  0  0
M  END

$$$$
D04GRB
          07081100512D 1   1.00000     0.00000     0

 47 51  0     1  0            999 V2000
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 38 39  2  0     0  0
 39 36  1  0     0  0
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 40 41  1  0     0  0
  9 10  2  0     0  0
 41 42  1  0     0  0
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 42 43  2  0     0  0
 17 22  1  0     0  0
 43 44  1  0     0  0
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 20 21  1  0     0  0
 37 47  1  0     0  0
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 10 11  1  0     0  0
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 12  7  1  0     0  0
 25 26  1  0     0  0
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 26 27  1  0     0  0
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 27 28  1  0     0  0
 12 13  1  0     0  0
 28 29  1  0     0  0
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 29 30  1  0     0  0
 13 14  1  0     0  0
 30 31  1  0     0  0
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 31 32  1  0     0  0
 14 15  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
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 34 35  1  6     0  0
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 34 36  1  0     0  0
 36 41  2  0     0  0
 15 17  1  0     0  0
 40 37  2  0     0  0
 17 18  1  0     0  0
 37 38  1  0     0  0
  3  4  2  0     0  0
M  END

$$$$
D04GSV
  -OEChem-04152109032D

 39 42  0     1  0  0  0  0  0999 V2000
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 12  2  1  1  0  0  0
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 13  3  1  1  0  0  0
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 11  5  1  6  0  0  0
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  7 20  1  0  0  0  0
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  8 21  2  0  0  0  0
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  9 22  1  0  0  0  0
 10 21  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
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 13 26  1  0  0  0  0
 14 16  1  6  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
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 17 30  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 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
M  END

$$$$
D04GZS
          06171100532D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
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    5.5667   -2.4667    0.0000 C   0  0  3  0  0  0           0  0  0
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    4.9542   -4.2417    0.0000 O   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
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  5  2  1  0     0  0
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  8  2  1  0     0  0
  9  2  1  0     0  0
 10  3  1  0     0  0
 11  3  1  0     0  0
 12  6  1  0     0  0
  6  5  1  0     0  0
M  RAD  1   7   2
M  END

$$$$
D04HAF
  -OEChem-04152111112D

 53 56  0     0  0  0  0  0  0999 V2000
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    6.5365   -4.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660   -3.2584    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 46  1  0  0  0  0
  2 16  2  0  0  0  0
  3 18  1  0  0  0  0
  3 21  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 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 20  1  0  0  0  0
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  8 32  1  0  0  0  0
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  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
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 11 35  1  0  0  0  0
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 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
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 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  2  0  0  0  0
 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 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  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  2  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D04HDZ
  -OEChem-10101305032D

 59 61  0     1  0  0  0  0  0999 V2000
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   13.1328    2.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1179   -1.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3532    1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -4.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5806    4.1804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1211   -2.5221    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4945   -1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8611   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2192    2.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3238    3.5112    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9945   -2.6404    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3019    3.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3532    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8019    2.8531    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4432   -3.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7089   -3.3312    0.0000 B   0  0  0  0  0  1  0  0  0  0  0  0
    2.0000   -2.7449    0.0000 B   0  0  0  0  0  1  0  0  0  0  0  0
   14.7964    2.7486    0.0000 B   0  0  0  0  0  1  0  0  0  0  0  0
    9.0687   -0.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737   -2.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9966   -1.8233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7402   -1.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0515   -2.2045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5447   -3.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8397   -3.0746    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
  2  4  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  2  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 21  1  0  0  0  0
  6 20  1  0  0  0  0
  6 26  1  0  0  0  0
  7 24  1  0  0  0  0
  7 29  1  0  0  0  0
  8 23  1  0  0  0  0
  9 28  1  0  0  0  0
 10 30  1  0  0  0  0
 10 59  1  0  0  0  0
 13 16  1  0  0  0  0
 13 47  1  0  0  0  0
 14 19  1  0  0  0  0
 14 51  1  0  0  0  0
 15 25  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 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 23  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 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 30  1  0  0  0  0
 20 39  1  0  0  0  0
 21 31  1  0  0  0  0
 21 40  1  0  0  0  0
 22 26  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
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 45  1  0  0  0  0
 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
 26 32  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
 27 50  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 33  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
M  CHG  2   1  -1  12  -1
M  END

$$$$
D04HQC
  -OEChem-04152110512D

 81 85  0     1  0  0  0  0  0999 V2000
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   10.4043    1.1380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8069    1.9446    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9422    1.1740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 47 81  1  0  0  0  0
M  END

$$$$
D04HQJ
  CDK    9/16/09,9:55

 19 21  0  0  0  0  0  0  0  0999 V2000
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 17 19  1  0  0  0  0 
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 18 19  2  0  0  0  0 
M  END

$$$$
D04HQT
  -OEChem-10191522362D

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M  END

$$$$
D04IIU
  -OEChem-10121501052D

 36 38  0     0  0  0  0  0  0999 V2000
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 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 19 28  1  0  0  0  0
 20 24  2  0  0  0  0
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 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END

$$$$
D04JIM
  -OEChem-04152111052D

 75 78  0     1  0  0  0  0  0999 V2000
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 39 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
M  END

$$$$
D04JNI
  -OEChem-04152108462D

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 35 36  1  0  0  0  0
 35 59  1  0  0  0  0
 36 60  1  0  0  0  0
M  END

$$$$
D04JTD
  -OEChem-10101305022D

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

$$$$
D04JTX
  -OEChem-04152111262D

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M  END

$$$$
D04JZH
  -OEChem-10191522582D

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M  END

$$$$
D04JZP
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 15 32  1  0     0  0
 35 39  1  0     0  0
 13  2  1  0     0  0
 37 38  1  0     0  0
M  END

$$$$
D04KHY
  -OEChem-10101305032D

 55 57  0     1  0  0  0  0  0999 V2000
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   10.0000   -2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 18  2  0  0  0  0
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  6 23  2  0  0  0  0
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 19  8  1  6  0  0  0
  8 22  1  0  0  0  0
  8 49  1  0  0  0  0
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 10 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 42  1  0  0  0  0
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 18 19  1  0  0  0  0
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 19 46  1  0  0  0  0
 20 21  1  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 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 28  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$
D04KJT
  -OEChem-04152122312D

 62 65  0     0  0  0  0  0  0999 V2000
   11.5942    2.9554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7263    3.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4622    2.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
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  1 35  1  0  0  0  0
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 30 32  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
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 33 34  1  0  0  0  0
 33 58  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
M  END

$$$$
D04KKT
  -OEChem-10101305022D

 24 24  0     1  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    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3  1  1  6  0  0  0
  1 21  1  0  0  0  0
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  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  6  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
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  6 15  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END

$$$$
D04KMP
  -OEChem-03141904542D

 58 61  0     0  0  0  0  0  0999 V2000
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 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
M  END

$$$$
D04KMQ
  -OEChem-04152111362D

 62 64  0     1  0  0  0  0  0999 V2000
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 11  5  1  6  0  0  0
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 28 60  1  0  0  0  0
M  END

$$$$
D04KNL
          03091000062D 1   1.00000     0.00000     0

120110  0     1  0            999 V2000
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 35110  1  0     0  0
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 67 66  2  0     0  0
117118  1  0     0  0
118119  1  0     0  0
119120  1  0     0  0
 69 24  1  1     0  0
M  CHG  8   1   1   2   1   3   1   4   1   5   1   6   1   7   1   8   1
M  CHG  8   9   1  10   1  11   1  12   1  13   1  20  -1  26  -1  32  -1
M  CHG  8  50  -1  52  -1  58  -1  62  -1  76  -1 101  -1 108  -1 109  -1
M  CHG  2 110  -1 111  -1
M  END

$$$$
D04KRV
  -OEChem-10101305022D

 56 56  0     1  0  0  0  0  0999 V2000
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    4.5981    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -6.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
  2 18  1  0  0  0  0
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  3 18  2  0  0  0  0
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 14  9  1  1  0  0  0
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 13 33  1  0  0  0  0
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 15 37  1  0  0  0  0
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 16 39  1  0  0  0  0
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 17 24  1  0  0  0  0
 17 41  1  0  0  0  0
 19 22  1  0  0  0  0
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 21 23  1  0  0  0  0
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 22 27  1  0  0  0  0
 22 48  1  0  0  0  0
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 23 25  2  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
 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  ISO  1   1 123
M  END

$$$$
D04KVQ
          08191101082D 1   1.00000     0.00000     0

 15 15  0     1  0            999 V2000
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   -2.5859    1.4560    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.1471    2.3580    0.0000 C   0  0  1  0  0  0           0  0  0
   -4.1469    1.4580    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.9241    2.8078    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9240    3.7063    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.7048    2.3561    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2479    1.0076    0.0000 O   0  0  0  0  0  0           0  0  0
    0.5326    1.4587    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3144    1.0098    0.0000 F  -1  0  0  0  0  0           0  0  0
  3  4  2  0     0  0
  7  8  1  0     0  0
  8  9  1  1     0  0
  4  5  1  0     0  0
  8 10  1  0     0  0
  2  3  1  0     0  0
  5  6  2  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  6  1  1  0     0  0
  4 13  1  0     0  0
  1  2  2  0     0  0
 13 14  1  0     0  0
  1  7  1  0     0  0
 14 15  1  0     0  0
M  ISO  1  15  18
M  END

$$$$
D04KWY
  -OEChem-04152110192D

 55 58  0     1  0  0  0  0  0999 V2000
    3.2353    5.3516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9094    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0700    4.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5664    8.9747    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.4120    3.6057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0442    7.0261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3030    7.9920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8231    6.1605    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9941    6.7196    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2697    7.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4431    6.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7019    7.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0544    6.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1750    5.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0174    2.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6525    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    2.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2584    1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8741    0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8242    6.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5230    8.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797    5.7484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    6.1043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2647    8.3009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6554    7.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2482    5.9287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0371    6.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2959    7.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    8.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033   10.1507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564   10.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2697    4.8139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3557    4.9943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    7.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8334    4.4402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8737    7.0769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    3.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    1.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2470    2.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3855    0.1069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2558    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3626    0.8703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    4.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 55  1  0  0  0  0
  3  5  1  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 15  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 30  1  1  0  0  0
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  7 12  1  0  0  0  0
  7 31  1  6  0  0  0
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  8 13  1  0  0  0  0
  8 32  1  6  0  0  0
  9 10  1  0  0  0  0
  9 14  1  1  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 36  1  0  0  0  0
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 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  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 19  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 21  2  0  0  0  0
 18 45  1  0  0  0  0
 19 23  1  0  0  0  0
 20 22  2  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
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  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 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
 28 29  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

$$$$
D04KYB
          06031000062D 1   1.00000     0.00000     0

 29 30  0     0  0            999 V2000
   -3.3379    0.2552    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3379   -0.4103    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7586    0.5931    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9138    0.5897    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.7586   -0.7414    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9138   -0.7448    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.1828    0.2552    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9138    1.2552    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1828   -0.4103    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4897   -0.4103    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6069    0.5897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0310    0.2552    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4552    0.5862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1207    0.2552    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4517    1.2517    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7000    0.5862    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2724    0.2552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7000    1.2517    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8517    0.5862    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.4241   -1.7448    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1517   -1.4138    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  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  1  0     0  0
  7 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
 14 16  1  0     0  0
 16 17  1  0     0  0
 16 18  2  0     0  0
 17 19  2  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 20 22  2  0     0  0
 21 23  2  0     0  0
 22 24  1  0     0  0
 23 25  1  0     0  0
 23 26  1  0     0  0
 25 27  1  0     0  0
 26 28  1  0     0  0
 27 29  1  0     0  0
  7  9  2  0     0  0
 24 25  2  0     0  0
M  END

$$$$
D04LBC
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
    7.7610   -2.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0278   -2.9521    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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  9 30  1  0  0  0  0
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 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
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 11 32  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
 15 16  1  0  0  0  0
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 17 20  2  0  0  0  0
 18 21  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 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  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 38  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
M  END

$$$$
D04LJB
          09230900062D 1   1.00000     0.00000     0

 77 77  0     1  0            999 V2000
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   -0.2006   -0.3189    0.0000 C   0  0  2  0  0  0           0  0  0
    0.4167    0.0333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0276   -0.3251    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8116    0.0396    0.0000 C   0  0  0  0  0  0           0  0  0
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 39 40  1  0     0  0
M  END

$$$$
D04LOR
  -OEChem-04152111232D

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M  END

$$$$
D04LSD
  -OEChem-10111523242D

 47 50  0     1  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
M  END

$$$$
D04LTF
  -OEChem-10101305032D

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 34 66  1  0  0  0  0
M  END

$$$$
D04LWT
  -OEChem-10101305022D

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 40 41  1  0  0  0  0
M  END

$$$$
D04MCY
  -OEChem-10101305022D

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M  END

$$$$
D04MGD
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
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 10 13  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
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
M  END

$$$$
D04MKJ
  -OEChem-04152109122D

 44 46  0     1  0  0  0  0  0999 V2000
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 22 44  1  0  0  0  0
M  END

$$$$
D04MPB
          09230900062D 1   1.00000     0.00000     0

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 36 17  1  0     0  0
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 38  9  1  0     0  0
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 12 28  1  0     0  0
M  END

$$$$
D04MXN
  Marvin  10201522192D          

 34 37  0  0  0  0            999 V2000
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 33 34  2  0  0  0  0
M  END

$$$$
D04NAQ
  -OEChem-10121500522D

 67 68  0     1  0  0  0  0  0999 V2000
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 29 33  1  0  0  0  0
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 35 36  2  0  0  0  0
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 36 39  1  0  0  0  0
 37 38  2  0  0  0  0
 38 40  1  0  0  0  0
 39 40  2  0  0  0  0
 40 67  1  0  0  0  0
M  END

$$$$
D04NNJ
  -OEChem-10101305032D

 61 65  0     1  0  0  0  0  0999 V2000
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   11.8462   -1.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6607   -2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1157    1.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5537    1.0533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7633    1.3049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0971   -0.5048    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  6  1  0  0  0  0
  1 29  1  0  0  0  0
 16  2  1  6  0  0  0
  2 56  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  2  0  0  0  0
  6 27  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
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  8 11  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 14  1  0  0  0  0
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 10 21  1  6  0  0  0
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 13 14  1  0  0  0  0
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 15 18  1  0  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
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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
 22 53  1  0  0  0  0
 23 25  1  0  0  0  0
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 26 28  3  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
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
M  END

$$$$
D04NRB
  -OEChem-10101305032D

 68 69  0     0  0  0  0  0  0999 V2000
   15.8564    1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5885    1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.4827    0.0000 C   0  0  0  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
   11.5263    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    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
   14.1244    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7908    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
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 25 27  2  0  0  0  0
 25 63  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  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
M  END

$$$$
D04NWU
          10230700062D 1   1.00000     0.00000     0

 35 39  0     1  0            999 V2000
    6.1150  -17.6781    0.0000 C   0  0  2  0  0  0           0  0  0
    6.4610  -18.2962    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1680  -18.3063    0.0000 N   0  0  3  0  0  0           0  0  0
    6.4619  -17.0875    0.0000 O   0  0  0  0  0  0           0  0  0
    7.1831  -17.0802    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5271  -17.6976    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.2457  -16.4826    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5418  -16.4757    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4066  -17.6692    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0059  -18.2533    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8687  -17.6373    0.0000 N   0  0  3  0  0  0           0  0  0
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   -0.0317  -17.4216    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.0415  -15.2928    0.0000 O   0  0  0  0  0  0           0  0  0
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  3  6  1  0     0  0
 19 18  2  0     0  0
 18 15  1  0     0  0
 19 20  1  0     0  0
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  5  4  1  0     0  0
  9 10  2  0     0  0
 10  5  1  0     0  0
 13 19  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 13  1  0     0  0
 17 23  1  0     0  0
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 23 24  2  0     0  0
  1  2  1  0     0  0
 23 25  1  0     0  0
 11 12  1  0     0  0
 22 26  1  0     0  0
  5  6  2  0     0  0
 14 27  2  0     0  0
  1  4  1  0     0  0
 14 28  1  0     0  0
 13 14  1  0     0  0
 28 29  2  0     0  0
  6  7  1  0     0  0
 29 30  1  0     0  0
  2  3  1  0     0  0
 30 31  2  0     0  0
 15 16  2  0     0  0
 31 32  1  0     0  0
  7  8  2  0     0  0
 32 33  2  0     0  0
 33 28  1  0     0  0
 31 12  1  0     0  0
 16 17  1  0     0  0
  3 34  1  0     0  0
 17 20  2  0     0  0
  9 35  1  0     0  0
M  END

$$$$
D04NXL
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
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    6.6353    0.6388    0.0000 O   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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 15 20  1  0  0  0  0
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 21 23  2  0  0  0  0
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 22 39  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END

$$$$
D04ODO
  -OEChem-10111523192D

 30 31  0     0  0  0  0  0  0999 V2000
    7.1279    1.5000    0.0000 Cl  0  0  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    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  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

$$$$
D04OLK
  -OEChem-02061504032D

 50 53  0     0  0  0  0  0  0999 V2000
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 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END

$$$$
D04ORP
  -OEChem-02051508392D

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M  END

$$$$
D04OSA
  -OEChem-04152110422D

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  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
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 13 18  1  0  0  0  0
 15 22  2  0  0  0  0
 15 33  1  0  0  0  0
 16 21  2  0  0  0  0
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 17 24  1  0  0  0  0
 17 35  1  0  0  0  0
 18 23  2  0  0  0  0
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 19 36  1  0  0  0  0
 20 27  2  0  0  0  0
 20 37  1  0  0  0  0
 21 26  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
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 25 29  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  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
 32 48  1  0  0  0  0
M  END

$$$$
D04OTY
  -OEChem-04152111162D

 48 51  0     0  0  0  0  0  0999 V2000
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   11.2651    2.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3475    0.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    3.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1961   -0.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3244   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3128   -2.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0563   -1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8009    1.8478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5968   -1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5781   -2.6899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    4.1557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
  2 27  1  0  0  0  0
  3 27  1  0  0  0  0
  4 17  1  0  0  0  0
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  6 48  1  0  0  0  0
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 10 11  2  0  0  0  0
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 15 20  2  0  0  0  0
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 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  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
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 44  1  0  0  0  0
 30 31  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
M  END

$$$$
D04OXD
          01210517122D 1   1.00000     0.00000     0

 21 22  0     1  0            999 V2000
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    3.1375   -6.3167    0.0000 C   0  0  1  0  0  0           0  0  0
    2.5250   -5.2542    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7417   -5.2542    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.1375   -4.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1792   -7.0417    0.0000 C   0  0  1  0  0  0           0  0  0
    1.9625   -6.3500    0.0000 C   0  0  1  0  0  0           0  0  0
    4.3625   -4.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9750   -3.8292    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7417   -6.7042    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  6  2  0     0  0
  6  1  1  0     0  0
  7  2  1  0     0  0
  8  2  1  0     0  0
  9  5  1  0     0  0
 10  7  1  0     0  0
 11  8  1  0     0  0
 12  5  1  0     0  0
 13 12  3  0     0  0
 14  3  2  0     0  0
 15  9  2  0     0  0
  7 16  1  1     0  0
 10 17  1  6     0  0
 11 18  1  1     0  0
 19 18  1  0     0  0
 20 13  1  0     0  0
  2 21  1  6     0  0
  4  9  1  0     0  0
 11 10  1  0     0  0
M  END

$$$$
D04PAU
  -OEChem-04152111362D

 62 64  0     1  0  0  0  0  0999 V2000
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   10.5920    1.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.0608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1866   -3.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5437   -1.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1651   -3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5223   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8974   -2.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5867   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6082   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976   -0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191   -0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9338   -4.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6914   -4.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1361   -2.0887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5428   -1.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2155   -3.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3798   -2.8345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2836   -2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8768   -3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2006   -1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6073   -0.9377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5877   -1.9708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9114   -0.3133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3181    0.2190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2985   -0.8141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.6808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    2.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 22  1  1  6  0  0  0
  1 25  1  0  0  0  0
  2 20  2  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 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
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  5 49  1  0  0  0  0
  6 19  2  0  0  0  0
  6 25  1  0  0  0  0
  7 23  1  0  0  0  0
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  8 23  1  0  0  0  0
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  8 62  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
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 10 32  1  0  0  0  0
 11 13  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
 14 15  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 17  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 27  1  0  0  0  0
 22 50  1  0  0  0  0
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 24 51  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  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
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
M  END

$$$$
D04PBH
  -OEChem-10101305032D

 53 56  0     1  0  0  0  0  0999 V2000
    6.0010   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2500    0.0000 O   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
    3.4030   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7500    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
    8.6155   -1.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    1.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.2500    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
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    6.8671   -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
    7.7331    1.2500    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
    8.6270   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    1.7847    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    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.2708    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
    3.4030    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    2.4046    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
    4.2690    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1488   -1.6008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353    1.4662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    4.5600    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 16  1  0  0  0  0
  1 17  1  0  0  0  0
 17  2  1  6  0  0  0
  2 19  1  0  0  0  0
 13  3  1  6  0  0  0
  3 41  1  0  0  0  0
 14  4  1  1  0  0  0
  4 42  1  0  0  0  0
 15  5  1  1  0  0  0
  5 43  1  0  0  0  0
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  6 44  1  0  0  0  0
  7 20  1  0  0  0  0
  7 23  1  0  0  0  0
  8 21  2  0  0  0  0
  9 25  1  0  0  0  0
  9 50  1  0  0  0  0
 10 30  1  0  0  0  0
 10 51  1  0  0  0  0
 11 31  1  0  0  0  0
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 12 33  1  0  0  0  0
 12 53  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 16  1  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 18  1  6  0  0  0
 16 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
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  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  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 30  2  0  0  0  0
 29 48  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 49  1  0  0  0  0
M  END

$$$$
D04PER
  -OEChem-04152121572D

 45 50  0     1  0  0  0  0  0999 V2000
    7.4462   -1.9093    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6309   -2.6816    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586   -3.8663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -1.4228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2061    3.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8122    3.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9319   -2.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0494   -1.5191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938   -0.0398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3885    0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1842   -1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937   -0.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370    1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1522   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6030    2.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6524   -2.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0012   -3.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7315    1.4779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722   -1.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001    2.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3891    1.3137    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
  2 31  1  0  0  0  0
  3 31  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5 14  2  0  0  0  0
  6 22  1  0  0  0  0
  6 27  1  0  0  0  0
  7 23  1  0  0  0  0
  7 27  1  0  0  0  0
  8 26  1  0  0  0  0
  8 29  1  0  0  0  0
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  9 15  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  1  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 17 34  1  0  0  0  0
 18 26  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 24  1  0  0  0  0
 19 37  1  0  0  0  0
 20 25  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
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 30  1  0  0  0  0
 28 44  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 45  1  0  0  0  0
M  END

$$$$
D04PLI
  -OEChem-04152109282D

102103  0     0  0  0  0  0  0999 V2000
   13.1371    7.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   10.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390   14.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8691   13.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4050   12.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0031   15.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    9.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   11.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    6.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4050    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   11.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4050    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390   10.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   12.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   11.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1371    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0031    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1371    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0031    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04PWT
  -OEChem-10101305032D

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   18.7836   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8564   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 81  1  0  0  0  0
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 35 39  1  0  0  0  0
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 35100  1  0  0  0  0
 36 40  1  0  0  0  0
 36101  1  0  0  0  0
 36102  1  0  0  0  0
 37 43  1  0  0  0  0
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 38 44  1  0  0  0  0
 38 45  2  0  0  0  0
 41 55  1  0  0  0  0
 41103  1  0  0  0  0
 41104  1  0  0  0  0
 42 56  1  0  0  0  0
 42105  1  0  0  0  0
 42106  1  0  0  0  0
 43 49  2  0  0  0  0
 44 50  2  0  0  0  0
 45 52  1  0  0  0  0
 45108  1  0  0  0  0
 46 51  1  0  0  0  0
 46107  1  0  0  0  0
 47 48  1  0  0  0  0
 47111  1  0  0  0  0
 47112  1  0  0  0  0
 48109  1  0  0  0  0
 48110  1  0  0  0  0
 49 53  1  0  0  0  0
 49113  1  0  0  0  0
 50 54  1  0  0  0  0
 50114  1  0  0  0  0
 51 53  2  0  0  0  0
 51115  1  0  0  0  0
 52 54  2  0  0  0  0
 52116  1  0  0  0  0
 53117  1  0  0  0  0
 54118  1  0  0  0  0
M  END

$$$$
D04PXS
  -OEChem-10101305022D

 25 27  0     1  0  0  0  0  0999 V2000
    5.8909    1.6545    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1588    2.6545    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.8455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588   -1.3455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1588   -2.3455    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0254   -1.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078   -2.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588   -0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0249    0.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7559    1.4645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  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  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  1  0  0  0
  6 16  1  0  0  0  0
  6 17  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 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
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
M  END

$$$$
D04QKU
  SciTegic11251413152D

 23 25  0  0  0  0            999 V2000
   -4.8661   -1.2789    0.0000 C   0  0
   -5.0376   -0.4719    0.0000 N   0  0
   -4.4245    0.0801    0.0000 C   0  0
   -3.6399   -0.1748    0.0000 C   0  0
   -3.4683   -0.9818    0.0000 C   0  0
   -4.0814   -1.5338    0.0000 C   0  0
   -5.4791   -1.8309    0.0000 Cl  0  0
   -2.6837   -1.2367    0.0000 C   0  0
   -1.8991   -1.4917    0.0000 C   0  0
   -1.1145   -1.7466    0.0000 C   0  0
   -0.4470   -1.2617    0.0000 C   0  0
   -0.8595   -2.5312    0.0000 N   0  0
   -0.0345   -2.5312    0.0000 C   0  0
    0.2204   -1.7466    0.0000 N   0  0
   -0.4470   -0.4367    0.0000 C   0  0
    0.4504   -3.1987    0.0000 C   0  0
    1.0050   -1.4917    0.0000 C   0  0
    1.9612   -0.4297    0.0000 C   0  0
    1.1766   -0.6847    0.0000 C   0  0
    1.6181   -2.0437    0.0000 C   0  0
    2.4027   -1.7888    0.0000 C   0  0
    2.5743   -0.9818    0.0000 C   0  0
    3.3589   -0.7268    0.0000 F   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
  1  7  1  0
  5  8  1  0
  8  9  3  0
  9 10  1  0
 12 13  2  0
 13 14  1  0
 11 14  1  0
 11 10  2  0
 10 12  1  0
 11 15  1  0
 13 16  1  0
 14 17  1  0
 18 19  1  0
 20 21  2  0
 21 22  1  0
 18 22  2  0
 19 17  2  0
 17 20  1  0
 22 23  1  0
M  ENDM  END

$$$$
D04QPD
          08140800142D 1   1.00000     0.00000     0

 37 40  0     1  0            999 V2000
    3.4125  -14.0167    0.0000 N   0  0  3  0  0  0           0  0  0
    2.8000  -12.9542    0.0000 N   0  0  0  0  0  0           0  0  0
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    2.8458  -14.4292    0.0000 O   0  0  0  0  0  0           0  0  0
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 10  4  1  0     0  0
 11  6  1  0     0  0
 12  6  1  0     0  0
 13 11  1  0     0  0
 14 12  1  0     0  0
 15  9  1  0     0  0
 16  3  2  0     0  0
 17 15  1  0     0  0
 18 15  2  0     0  0
 14 19  1  6     0  0
 20 17  2  0     0  0
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 22 21  2  0     0  0
 13 23  1  1     0  0
 24 23  1  0     0  0
 25 22  1  0     0  0
 26 25  1  0     0  0
  6 27  1  6     0  0
  2  5  2  0     0  0
 14 13  1  0     0  0
  8  9  1  0     0  0
 20 22  1  0     0  0
 24 28  1  0     0  0
  2  3  1  0     0  0
 28 29  1  0     0  0
  3  1  1  0     0  0
 28 30  2  0     0  0
  4  7  2  0     0  0
 29 31  1  0     0  0
  5  4  1  0     0  0
 29 32  1  6     0  0
  6  1  1  0     0  0
 32 33  1  0     0  0
  7  1  1  0     0  0
 32 34  1  0     0  0
 26 35  1  0     0  0
  8  5  1  0     0  0
 35 36  1  0     0  0
  9 10  2  0     0  0
 36 37  1  0     0  0
M  END

$$$$
D04QRG
  -OEChem-04152109312D

 32 33  0     1  0  0  0  0  0999 V2000
    3.7320   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9400    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
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  6  4  1  1  0  0  0
  4 11  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 25  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  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
 11 12  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 14  2  0  0  0  0
 13 15  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 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

$$$$
D04QUG
  -OEChem-02061504002D

 45 46  0     1  0  0  0  0  0999 V2000
    5.4641   -0.5000    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
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    2.8660   -5.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 14 17  1  0  0  0  0
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 15 18  2  0  0  0  0
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 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
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 17 20  2  0  0  0  0
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 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 21 22  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D04QUX
          07061000402D 1   1.00000     0.00000     0

 35 37  0     1  0            999 V2000
    9.4605   -0.3108    0.0000 C   0  0  1  0  0  0           0  0  0
   10.1481   -0.3122    0.0000 C   0  0  1  0  0  0           0  0  0
   10.3582   -0.9681    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.3843   -2.1076    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.7598   -1.0429    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0009   -1.0323    0.0000 C   0  0  1  0  0  0           0  0  0
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 16 17  1  0     0  0
 12 10  1  0     0  0
  2  3  1  0     0  0
 15 18  1  0     0  0
  1 18  1  1     0  0
  8  9  2  0     0  0
  3  4  1  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
 21 19  1  0     0  0
  4 19  1  0     0  0
  4  5  1  0     0  0
 10 11  2  0     0  0
 22 23  2  0     0  0
 11  6  1  0     0  0
 23 24  1  0     0  0
 12 13  1  0     0  0
 24 25  2  0     0  0
  5  1  1  0     0  0
 25 26  1  0     0  0
  1  2  1  0     0  0
 26 27  2  0     0  0
 27 22  1  0     0  0
  2 22  1  6     0  0
 27 28  1  0     0  0
  6  7  2  0     0  0
 25 29  1  0     0  0
 18 30  2  0     0  0
  7  8  1  0     0  0
 17 31  1  1     0  0
 12 17  1  0     0  0
 13 32  1  1     0  0
 13 14  1  0     0  0
 12 33  1  1     0  0
 14 15  1  0     0  0
 19 34  1  0     0  0
 15 16  1  0     0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  35
M  SMT   1 .HCl
M  END

$$$$
D04QWQ
  -OEChem-10191523072D

 47 49  0     1  0  0  0  0  0999 V2000
   11.1241    3.6051    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9394    4.3774    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3518    2.4204    0.0000 F   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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 11  5  1  1  0  0  0
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 10 22  1  0  0  0  0
 10 28  2  0  0  0  0
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 13 33  1  0  0  0  0
 15 35  1  0  0  0  0
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 17 24  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 21  1  0  0  0  0
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 19 41  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  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

$$$$
D04QYS
  -OEChem-03141904512D

 71 79  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04QZI
  -OEChem-10121501562D

 70 74  0     1  0  0  0  0  0999 V2000
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 36 70  1  0  0  0  0
M  END

$$$$
D04RCT
  -OEChem-04152109422D

 30 30  0     0  0  0  0  0  0999 V2000
    3.2094    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    4.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    4.7650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    3.0330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    4.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    5.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    3.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988    3.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    3.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0805    5.3173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    5.8790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9642    6.1367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9642    3.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    3.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1088    5.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7162    3.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4065    3.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4188    3.0330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4888    2.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 15  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4 15  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  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
  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  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  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
 11 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  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END

$$$$
D04RKW
          05020800382D 1   1.00000     0.00000     0

 12 13  0     0  0            999 V2000
    3.7292    1.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7292    1.7208    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1167    2.0833    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1167    0.6583    0.0000 N   0  0  0  0  0  0           0  0  0
    2.5042    1.7208    0.0000 N   0  0  0  0  0  0           0  0  0
    4.4042    0.8000    0.0000 N   0  0  0  0  0  0           0  0  0
    2.5042    1.0125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4042    1.9458    0.0000 N   0  0  3  0  0  0           0  0  0
    4.8167    1.3708    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1167    2.7833    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8917    0.6625    0.0000 O   0  0  0  0  0  0           0  0  0
    4.6250    2.6125    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  1  1  0     0  0
  7  4  1  0     0  0
  8  2  1  0     0  0
  9  6  2  0     0  0
 10  3  2  0     0  0
 11  7  2  0     0  0
 12  8  1  0     0  0
  9  8  1  0     0  0
  3  5  1  0     0  0
M  END

$$$$
D04RSR
  -OEChem-10101305022D

 43 45  0     1  0  0  0  0  0999 V2000
    2.8660    2.4254    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -3.6092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.5988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -2.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.7417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798   -3.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8060   -3.9130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1258   -3.2188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    3.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    3.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    4.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    3.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
  4 23  1  0  0  0  0
  4 26  1  0  0  0  0
  5 15  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 16  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 19  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 24  3  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 20  2  0  0  0  0
 14 28  1  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 20 31  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  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 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END

$$$$
D04RYY
  -OEChem-10101305022D

 45 46  0     1  0  0  0  0  0999 V2000
    6.8671   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    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
    8.5991    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5000    0.0000 O   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
    3.4030   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5000    0.0000 O   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   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -2.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 C   0  0  3  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
    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1309    0.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7372   -1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649    1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7372   -1.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8711   -2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1309    2.9250    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
    3.8015   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1200    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
    3.4030   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.8100    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
    2.0000   -0.6900    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 14  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
  4 38  1  0  0  0  0
  5 16  1  0  0  0  0
  5 39  1  0  0  0  0
  6 17  1  0  0  0  0
  6 40  1  0  0  0  0
  7 18  1  0  0  0  0
  7 41  1  0  0  0  0
  8 19  1  0  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 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 19  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 22  1  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
 17 29  1  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 32  1  0  0  0  0
 20 23  1  0  0  0  0
 20 31  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

$$$$
D04SIU
          01210515562D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
    4.8375   -2.9042    0.0000 N   0  0  0  0  0  0           0  0  0
    5.4125   -3.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4792   -3.9917    0.0000 N   0  0  0  0  0  0           0  0  0
    5.1917   -3.9917    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2625   -3.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0167   -2.9667    0.0000 C   0  0  3  0  0  0           0  0  0
    7.2500   -2.9542    0.0000 N   0  0  0  0  0  0           0  0  0
    7.2542   -2.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6250   -1.8917    0.0000 N   0  0  0  0  0  0           0  0  0
    6.6375   -3.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0167   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6417   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0417   -3.3417    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  5  2  0     0  0
  4  2  1  0     0  0
  5  1  1  0     0  0
  6  2  1  0     0  0
  7 10  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 10  6  1  0     0  0
 11  6  1  0     0  0
 12  5  1  0     0  0
 13 12  1  0     0  0
  3  4  1  0     0  0
  7  8  2  0     0  0
M  END

$$$$
D04SLF
  -OEChem-10101305032D

 67 70  0     1  0  0  0  0  0999 V2000
    2.5357   -3.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
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M  END

$$$$
D04SOU
  -OEChem-04152111172D

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 41 72  1  0  0  0  0
M  END

$$$$
D04SPJ
  -OEChem-04152111182D

 66 70  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D04SXL
  -OEChem-03141904472D

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 44 82  1  0  0  0  0
M  END

$$$$
D04TBC
          07110900062D 1   1.00000     0.00000     0

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

$$$$
D04TGF
  -OEChem-10111523152D

 47 48  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04TIJ
          02100900062D 1   1.00000     0.00000     0

 32 36  0     1  0            999 V2000
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M  END

$$$$
D04TLJ
  -OEChem-04152110132D

117118  0     1  0  0  0  0  0999 V2000
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 50117  1  0  0  0  0
M  END

$$$$
D04TNT
  -OEChem-10111523152D

 50 53  0     1  0  0  0  0  0999 V2000
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 30 50  1  0  0  0  0
M  END

$$$$
D04TPQ
          02251100112D 1   1.00000     0.00000     0

 33 35  0     1  0            999 V2000
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 15 16  1  0     0  0
 16 17  1  0     0  0
  7  8  1  0     0  0
  3  4  1  0     0  0
  8  9  2  0     0  0
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 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 16  2  0     0  0
  9 10  1  0     0  0
 18 21  1  0     0  0
  5  1  1  0     0  0
 21 22  1  0     0  0
 10 11  2  0     0  0
 21 23  2  0     0  0
 11  6  1  0     0  0
 22 24  1  0     0  0
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  2 13  1  1     0  0
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 13 14  1  0     0  0
 29 30  1  0     0  0
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 30 31  1  0     0  0
 14 15  1  0     0  0
 31 32  1  0     0  0
  2  3  1  0     0  0
 27 33  1  1     0  0
M  END

$$$$
D04TQT
  -OEChem-04152110162D

121123  0     1  0  0  0  0  0999 V2000
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 56115  1  0  0  0  0
 57 58  2  0  0  0  0
 57116  1  0  0  0  0
 58119  1  0  0  0  0
M  END

$$$$
D04TSO
  -OEChem-04152110322D

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M  END

$$$$
D04UBI
  -OEChem-04152111332D

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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

$$$$
D04UNO
          02030700082D 1   1.00000     0.00000     0

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

$$$$
D04UPW
          01210517102D 1   1.00000     0.00000     0

 45 49  0     1  0            999 V2000
    4.4792   -4.8500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4750   -5.5625    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 11  1  0     0  0
 11  2  1  0     0  0
 12  7  1  0     0  0
 13 27  1  0     0  0
 14  1  2  0     0  0
 15  4  2  0     0  0
  5 16  1  1     0  0
 17  3  1  0     0  0
 18  3  1  0     0  0
 19  3  1  0     0  0
 20 33  1  0     0  0
 21 23  1  0     0  0
 22 12  2  0     0  0
 23 10  1  0     0  0
 24  8  1  0     0  0
 25 16  1  0     0  0
 26 22  1  0     0  0
 27 29  1  0     0  0
 28  7  2  0     0  0
 29 26  1  0     0  0
 30 13  1  0     0  0
 31 13  1  0     0  0
 32 28  1  0     0  0
 33 31  1  0     0  0
 34 30  1  0     0  0
 35 32  2  0     0  0
 36 24  2  0     0  0
 37 24  1  0     0  0
 38 25  2  0     0  0
 39 25  1  0     0  0
 40 37  2  0     0  0
 41 38  1  0     0  0
 42 39  2  0     0  0
 43 36  1  0     0  0
 44 40  1  0     0  0
 45 42  1  0     0  0
 44 43  2  0     0  0
 21  5  1  0     0  0
 35 22  1  0     0  0
 45 41  2  0     0  0
 20 34  1  0     0  0
M  END

$$$$
D04UUD
  -OEChem-10101305022D

 53 57  0     0  0  0  0  0  0999 V2000
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    6.3661    3.1664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000   -1.4709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 49  1  0  0  0  0
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 27 51  1  0  0  0  0
 29 53  1  0  0  0  0
M  END

$$$$
D04VBF
  SciTegic11251413152D

 29 32  0  0  0  0            999 V2000
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   -0.1037   -6.3595    0.0000 N   0  0
   -0.5162   -5.6450    0.0000 C   0  0
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   -1.3412   -5.6450    0.0000 N   0  0
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   -4.2287   -3.5016    0.0000 C   0  0
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  1  2  2  0
  1  6  1  0
  1 21  1  0
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 26 29  1  0
M  ENDM  END

$$$$
D04VMG
  -OEChem-02041521312D

 39 39  0     1  0  0  0  0  0999 V2000
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    5.0981    2.1160    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    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
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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   -2.8700    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  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  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 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  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
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  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 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
 12 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
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END

$$$$
D04VRN
  -OEChem-04152111152D

 60 59  0     1  0  0  0  0  0999 V2000
    5.4641   -3.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    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
   11.5263    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    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
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    6.3301   -2.3100    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
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    9.7942    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  3  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
    5.4641   -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
    9.7942    1.6900    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
    2.8660    0.6900    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
   10.6603    3.1900    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
    5.7932   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    0.7977    0.0000 H   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
    5.2520   -2.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -2.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2554    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.1074    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
    2.8660   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.1200    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
  1 26  1  0  0  0  0
  2 25  1  0  0  0  0
  2 28  1  0  0  0  0
  3 17  2  0  0  0  0
  4 20  2  0  0  0  0
  5 24  1  0  0  0  0
  5 50  1  0  0  0  0
  6 24  2  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  7 35  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  8 36  1  0  0  0  0
  9 19  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 23  1  0  0  0  0
 10 27  2  0  0  0  0
 11 27  1  0  0  0  0
 11 57  1  0  0  0  0
 11 58  1  0  0  0  0
 12 27  1  0  0  0  0
 12 59  1  0  0  0  0
 12 60  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 14 30  1  0  0  0  0
 15 21  1  0  0  0  0
 15 31  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
 18 23  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 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 44  1  0  0  0  0
 23 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  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
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END

$$$$
D04VSM
  -OEChem-10101305032D

 69 69  0     1  0  0  0  0  0999 V2000
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   13.2583   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2594    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 33 69  1  0  0  0  0
M  END

$$$$
D04VWJ
  -OEChem-10101305022D

 51 53  0     1  0  0  0  0  0999 V2000
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 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D04WBT
  -OEChem-10101305022D

 43 46  0     1  0  0  0  0  0999 V2000
    2.0000   -1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 43  1  0  0  0  0
M  END

$$$$
D04WMR
  -OEChem-10101305032D

 47 49  0     0  0  0  0  0  0999 V2000
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  1 25  1  0  0  0  0
  2 22  1  0  0  0  0
  2 27  1  0  0  0  0
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 17 35  1  0  0  0  0
 18 24  2  0  0  0  0
 18 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  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 25  1  0  0  0  0
 24 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  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
M  END

$$$$
D04WUA
  -OEChem-04152109522D

 49 51  0     1  0  0  0  0  0999 V2000
    3.7690    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.8940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    2.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.2690    4.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690    4.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    5.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    5.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    2.6886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    2.6886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7456    1.2136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6490    4.3380    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 38  1  0  0  0  0
 12  2  1  6  0  0  0
  2 41  1  0  0  0  0
  3 24  1  0  0  0  0
  3 49  1  0  0  0  0
  4  8  1  0  0  0  0
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  4 10  1  0  0  0  0
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  9 31  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 15  2  0  0  0  0
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 13 35  1  0  0  0  0
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 14 19  2  0  0  0  0
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 16 18  2  0  0  0  0
 16 40  1  0  0  0  0
 17 21  2  0  0  0  0
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 18 21  1  0  0  0  0
 18 43  1  0  0  0  0
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 20 23  2  0  0  0  0
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 21 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
M  END

$$$$
D04XCO
          04201000072D 1   1.00000     0.00000     0

 41 44  0     0  0            999 V2000
    4.3284   -2.6099    0.0000 N   0  0  3  0  0  0           0  0  0
    4.9523   -2.2668    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3157   -3.3223    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5592   -2.6319    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1825   -2.2859    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7933   -2.6504    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7809   -3.3636    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1528   -3.7106    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5446   -3.3400    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4170   -2.3070    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0283   -2.6718    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6520   -2.3284    0.0000 O   0  0  0  0  0  0           0  0  0
    8.0159   -3.3842    0.0000 O   0  0  0  0  0  0           0  0  0
    9.2633   -2.6933    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5902   -0.6041    0.0000 N   0  0  0  0  0  0           0  0  0
    0.5891   -1.3148    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2039   -1.6694    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2021   -0.2497    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8133   -0.6005    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8179   -1.3148    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4987   -1.5312    0.0000 N   0  0  3  0  0  0           0  0  0
    2.9148   -0.9506    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4912   -0.3755    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.0246   -1.6687    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6378   -1.3141    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2514   -1.6680    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8647   -1.3135    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4783   -1.6673    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.6232   -0.9460    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.1016   -2.5977    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7185   -2.2496    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.8670   -3.2741    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2488   -3.6136    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2318   -4.3221    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8382   -4.6896    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4617   -4.3488    0.0000 C   0  0  0  0  0  0           0  0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 19  1  0     0  0
  9  4  1  0     0  0
 16 24  1  0     0  0
  6 10  1  0     0  0
 24 25  1  0     0  0
 10 11  1  0     0  0
 25 26  1  0     0  0
 11 12  1  0     0  0
 26 27  1  0     0  0
 11 13  2  0     0  0
 27 28  1  0     0  0
 12 14  1  0     0  0
 18 29  1  0     0  0
 22 30  2  0     0  0
  1  2  1  0     0  0
 21 31  1  0     0  0
 15 16  2  0     0  0
 31 32  1  0     0  0
  1  3  1  0     0  0
 32 33  1  0     0  0
 33  1  1  0     0  0
 16 17  1  0     0  0
  3 34  1  0     0  0
 17 20  2  0     0  0
 34 35  1  0     0  0
  2  4  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 19 18  2  0     0  0
 18 15  1  0     0  0
 19 20  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
 36 41  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
M  END

$$$$
D04XEQ
  -OEChem-04152109552D

506540  0     1  0  0  0  0  0999 V2000
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   27.7345    2.1122    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.0911   17.8659    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5247   17.3456    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.0068    7.4619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4902   13.6938    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954   11.2503    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.4745   -1.2634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1868   12.8607    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2862    7.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.7645   -4.2970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2262    3.8715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.0613   -8.7939    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.2005    2.5420    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   28.3209    1.3022    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.5019   17.0580    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.7309   16.3671    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   25.0121    7.3591    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   19.4849   13.7966    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   21.3062   10.4423    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   29.2165   -1.9338    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.0519   12.3592    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.2378    7.6866    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   25.7628   -5.2970    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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   24.3687   -9.7455    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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   27.2283    4.8713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9734   18.8312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2443    0.3955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7213   15.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8244   10.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.8709    3.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5108    0.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6939   17.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7524   16.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3821   14.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9093    8.3538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1326    4.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4982   11.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   26.7628   -5.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8094   -7.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5451    6.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4585    3.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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295504  1  0  0  0  0
295505  1  0  0  0  0
295506  1  0  0  0  0
M  END

$$$$
D04XIO
          03231000382D 1   1.00000     0.00000     0

 17 18  0     1  0            999 V2000
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   -1.1709   -1.9334    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9141   -1.1492    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.5834   -0.6625    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2484   -1.1492    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1291   -0.8954    0.0000 N   0  0  0  0  0  0           0  0  0
    0.0436   -0.0887    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8285    0.1652    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0012    0.9719    0.0000 N   0  0  3  0  0  0           0  0  0
    1.4409   -0.3877    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7546    1.3048    0.0000 C   0  0  1  0  0  0           0  0  0
    1.6695    2.1254    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8627    2.2981    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.4664    0.0658    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1835    1.3018    0.0000 O   0  0  0  0  0  0           0  0  0
  7  8  1  0     0  0
  2  3  1  0     0  0
  8  9  1  0     0  0
  3  4  1  0     0  0
  8 10  2  0     0  0
  9 11  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  1  2  1  0     0  0
  3  6  1  1     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  9  1  0     0  0
 11 15  1  1     0  0
  6  7  1  0     0  0
 15 16  1  0     0  0
 15 17  1  0     0  0
M  END

$$$$
D04XVJ
  -OEChem-04152111272D

 51 52  0     0  0  0  0  0  0999 V2000
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  1 23  1  0  0  0  0
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  3 11  1  0  0  0  0
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 10 11  2  0  0  0  0
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 15 32  1  0  0  0  0
 16 19  1  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 33  1  0  0  0  0
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 20 22  1  0  0  0  0
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 21 25  1  0  0  0  0
 21 38  1  0  0  0  0
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 23 26  1  0  0  0  0
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 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
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 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

$$$$
D04XVU
  -OEChem-02031521062D

 47 50  0     0  0  0  0  0  0999 V2000
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  7 26  1  0  0  0  0
  7 27  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 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 16 19  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
 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
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 24 28  1  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 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 41  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
M  END

$$$$
D04XYL
  -OEChem-10101305022D

 29 31  0     1  0  0  0  0  0999 V2000
    4.4026    0.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.0732    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9405    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422    1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    1.5449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6844    2.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889   -0.6752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0684   -0.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572    0.2979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587    1.1683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    1.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    1.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    2.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8819   -1.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642    3.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 28  1  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  5 27  1  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  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
  9 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  1  6  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 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

$$$$
D04XZE
  -OEChem-04152110162D

 56 57  0     0  0  0  0  0  0999 V2000
   10.4048    5.7975    0.0000 Cl  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
    4.3301    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    9.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   11.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   11.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    4.1200    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
    3.4641    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.1200    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
    6.0622    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0063    9.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4048   10.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4516   10.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8501    9.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4048   11.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0063   11.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8501   11.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4516   11.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3267   12.0949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1403    8.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8501    8.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4516    8.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6728    7.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9841    7.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5856    6.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8067    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7320    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3722    2.6569    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
    0.3291    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4048    5.7975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 56  1  0  0  0  0
  2 27  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
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  5 21  1  0  0  0  0
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  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 11  1  0  0  0  0
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 10 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
 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 15  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 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 48  1  0  0  0  0
 19 20  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
 22 25  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 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 27  2  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

$$$$
D04YAJ
  SciTegic11301210262D

 27 30  0  0  0  0            999 V2000
  -18.7982  -12.8170    0.0000 C   0  0
  -19.5127  -13.2295    0.0000 N   0  0
  -19.5127  -14.0545    0.0000 C   0  0
  -18.7982  -14.4670    0.0000 N   0  0
  -18.0837  -14.0545    0.0000 C   0  0
  -18.0837  -13.2295    0.0000 C   0  0
  -17.2991  -14.3094    0.0000 N   0  0
  -16.8142  -13.6420    0.0000 C   0  0
  -17.2991  -12.9746    0.0000 N   0  0
  -17.0442  -15.0940    0.0000 C   0  0  2  0  0  0
  -17.5291  -15.7615    0.0000 O   0  0
  -17.0443  -16.4289    0.0000 C   0  0  1  0  0  0
  -16.2596  -16.1740    0.0000 C   0  0  2  0  0  0
  -16.2596  -15.3490    0.0000 C   0  0  1  0  0  0
  -17.2992  -17.2135    0.0000 C   0  0
  -15.5922  -16.6589    0.0000 O   0  0
  -15.5922  -14.8641    0.0000 O   0  0
  -16.7472  -17.8266    0.0000 O   0  0
  -18.1062  -17.3850    0.0000 N   0  0
  -18.6896  -16.8016    0.0000 C   0  0
  -19.4864  -17.0152    0.0000 C   0  0
  -18.7982  -11.9920    0.0000 N   0  0
  -18.0837  -11.5795    0.0000 C   0  0
  -17.3301  -11.9150    0.0000 C   0  0
  -16.7781  -11.3019    0.0000 C   0  0
  -17.1906  -10.5875    0.0000 C   0  0
  -17.9975  -10.7590    0.0000 C   0  0
  1  2  1  0
  1  6  2  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  6  9  1  0
  6  5  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
 10  7  1  1
 10 11  1  0
 10 14  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  1
 13 16  1  6
 14 17  1  6
 15 18  2  0
 15 19  1  0
 19 20  1  0
 20 21  1  0
  1 22  1  0
 22 23  1  0
 23 24  1  0
 23 27  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END

$$$$
D04YAK
          11200700182D 1   1.00000     0.00000     0

 33 36  0     0  0            999 V2000
    3.7958    2.0375    0.0000 F   0  0  0  0  0  0           0  0  0
    4.5042    2.0375    0.0000 C   0  0  3  0  0  0           0  0  0
    4.1500    2.6509    0.0000 F   0  0  0  0  0  0           0  0  0
    0.8486   -0.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8474   -0.8107    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4622   -1.1652    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0745   -0.8102    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0716   -0.0963    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4604    0.2545    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4590    0.9628    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4631   -1.8735    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.6839    0.2599    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2985   -0.0923    0.0000 N   0  0  0  0  0  0           0  0  0
    2.6816    0.9682    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9108    0.2639    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5219   -0.0914    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1337    0.2642    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.9036    0.9676    0.0000 C   0  0  0  0  0  0           0  0  0
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  7  8  1  0     0  0
 16 17  1  0     0  0
  2  1  1  0     0  0
 17 18  2  0     0  0
  8  9  2  0     0  0
 18 19  1  0     0  0
  9  4  1  0     0  0
 19 20  2  0     0  0
 20 15  1  0     0  0
 19  2  1  0     0  0
  3  2  1  0     0  0
  2 21  1  0     0  0
  9 10  1  0     0  0
 16 22  1  0     0  0
  4  5  2  0     0  0
 22 23  1  0     0  0
 23 28  2  0     0  0
  6 11  1  0     0  0
 27 24  2  0     0  0
 24 25  1  0     0  0
  8 12  1  0     0  0
 25 26  2  0     0  0
 26 23  1  0     0  0
  5  6  1  0     0  0
 12 13  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 12 14  2  0     0  0
 29 30  2  0     0  0
  6  7  2  0     0  0
 30 31  1  0     0  0
 13 15  1  0     0  0
 31 32  2  0     0  0
 32 27  1  0     0  0
 24 33  1  0     0  0
 15 16  2  0     0  0
M  END

$$$$
D04YEW
          03050900362D 1   1.00000     0.00000     0

 30 33  0     1  0            999 V2000
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    8.8577   -1.9041    0.0000 N   0  0  3  0  0  0           0  0  0
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 13 15  1  0     0  0
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 14 16  2  0     0  0
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 16 17  1  0     0  0
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 17 18  2  0     0  0
 18 19  1  0     0  0
  6  9  1  6     0  0
 19 20  2  0     0  0
 20 14  1  0     0  0
  1  2  1  0     0  0
 15 21  1  0     0  0
  3 10  1  6     0  0
 21 22  2  0     0  0
  1  3  1  0     0  0
 22 23  1  0     0  0
 10 11  1  0     0  0
 23 24  2  0     0  0
  2  4  1  0     0  0
 24 25  1  0     0  0
 11 12  2  0     0  0
 25 26  2  0     0  0
 26 21  1  0     0  0
  2  5  1  0     0  0
 17 27  1  0     0  0
 11 13  1  0     0  0
 23 28  1  0     0  0
  3  6  1  0     0  0
 24 29  1  0     0  0
 13 14  1  0     0  0
 25 30  1  0     0  0
M  END

$$$$
D04YJN
  -OEChem-04152110172D

 31 31  0     1  0  0  0  0  0999 V2000
    3.7320    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END

$$$$
D04ZJG
  -OEChem-10101305032D

174163  0     1  0  0  0  0  0999 V2000
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  1 40  1  0  0  0  0
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 35114  1  0  0  0  0
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 36122  1  0  0  0  0
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 38123  1  0  0  0  0
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 47135  1  0  0  0  0
 47137  1  0  0  0  0
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 51130  1  0  0  0  0
131 52  1  6  0  0  0
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 54134  1  0  0  0  0
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 57138  1  0  0  0  0
 58139  1  0  0  0  0
110111  1  0  0  0  0
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110140  1  0  0  0  0
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111141  1  0  0  0  0
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120124  1  0  0  0  0
120150  1  0  0  0  0
121122  1  0  0  0  0
121151  1  0  0  0  0
122134  1  1  0  0  0
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124136  1  1  0  0  0
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125127  1  0  0  0  0
125155  1  0  0  0  0
126128  1  0  0  0  0
126135  1  0  0  0  0
126156  1  0  0  0  0
127129  1  0  0  0  0
127157  1  0  0  0  0
128133  1  0  0  0  0
128158  1  0  0  0  0
129131  1  0  0  0  0
129159  1  0  0  0  0
130160  1  0  0  0  0
130161  1  0  0  0  0
131132  1  0  0  0  0
131162  1  0  0  0  0
132138  1  1  0  0  0
132163  1  0  0  0  0
133137  1  0  0  0  0
133164  1  0  0  0  0
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134166  1  0  0  0  0
135167  1  0  0  0  0
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137139  1  1  0  0  0
137170  1  0  0  0  0
138171  1  0  0  0  0
138172  1  0  0  0  0
139173  1  0  0  0  0
139174  1  0  0  0  0
M  CHG  8  18   1  19   1  20   1  21   1  22   1  23   1  24   1  25   1
M  CHG  8  26   1  27   1  28   1  29   1  30   1  31   1  32   1  59  -1
M  CHG  8  62  -1  65  -1  68  -1  71  -1  74  -1  77  -1  80  -1  83  -1
M  CHG  8  86  -1  89  -1  92  -1  95  -1  98  -1 101  -1 104  -1 105  -1
M  CHG  1 107  -1
M  END

$$$$
D04ZKY
  -OEChem-04152111302D

 25 26  0     1  0  0  0  0  0999 V2000
    5.2152    0.4453    0.0000 S   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
    2.5369   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  2  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
    4.2690    1.7500    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
    2.5369    1.7500    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
    5.2152    2.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.2500    0.0000 C   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
    3.8015    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6150   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078    2.6440    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
    6.4188    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -2.2500    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  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  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 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  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
 12 25  1  0  0  0  0
M  END

$$$$
D04ZND
  -OEChem-04152111002D

 49 52  0     1  0  0  0  0  0999 V2000
    3.4022   -1.5340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    2.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8989   -2.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9056   -0.6699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6594    0.0150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7934   -0.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9273    0.0150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6056    1.3197    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7934    1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6056   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9273    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1892    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1682    1.7591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3546   -0.8566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1430   -0.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04ZQB
  -OEChem-03141904472D

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M  END

$$$$
D04ZQO
  -OEChem-04152111232D

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M  END

$$$$
D04ZWQ
  -OEChem-04152109472D

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 26 57  1  0  0  0  0
M  END

$$$$
D05AAD
  -OEChem-10101305022D

 36 37  0     1  0  0  0  0  0999 V2000
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    6.2068    1.5000    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
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  2 13  1  0  0  0  0
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 14  3  1  1  0  0  0
  3 29  1  0  0  0  0
 15  4  1  1  0  0  0
  4 30  1  0  0  0  0
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  6 19  2  0  0  0  0
  7 21  2  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 13  9  1  6  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 18  1  0  0  0  0
 10 22  1  0  0  0  0
 10 31  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  2  0  0  0  0
 12 22  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
 13 23  1  0  0  0  0
 14 15  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
 16 17  1  6  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 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END

$$$$
D05ADP
  -OEChem-10101305022D

 52 54  0     1  0  0  0  0  0999 V2000
    2.5369    2.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    2.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793    0.6955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    2.0002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7331    2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2629    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1826    3.8448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0963    2.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.3102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.6198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 47  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  9  3  1  6  0  0  0
  3 14  1  0  0  0  0
  3 31  1  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  2  0  0  0  0
  6 13  1  0  0  0  0
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  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  7 41  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 19  1  0  0  0  0
 12 29  1  0  0  0  0
 12 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 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 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 45  1  0  0  0  0
 20 46  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 48  1  0  0  0  0
 23 25  2  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
M  END

$$$$
D05AHC
          04011000432D 1   1.00000     0.00000     0

 61 61  0     1  0            999 V2000
   -3.7576   -2.2645    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.1461   -2.6196    0.0000 C   0  0  2  0  0  0           0  0  0
   -3.1472   -3.3303    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7618   -3.6823    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5315   -2.2675    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9179   -2.6262    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3032   -2.2741    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6917   -2.6292    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.3022   -1.5634    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1496   -2.2744    0.0000 N   0  0  0  0  0  0           0  0  0
    1.7616   -2.6286    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3778   -2.2744    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3778   -1.5661    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0797   -2.2750    0.0000 C   0  0  2  0  0  0           0  0  0
    0.5365   -2.6292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5365   -3.3375    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0797   -1.5667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5365   -1.2125    0.0000 S   0  0  0  0  0  0           0  0  0
    0.5378   -0.5042    0.0000 S   0  0  0  0  0  0           0  0  0
    2.9909   -2.6292    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.7590    0.5479    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.1475    0.9029    0.0000 C   0  0  2  0  0  0           0  0  0
   -3.1486    1.6136    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7632    1.9657    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5328    0.5508    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9193    0.9095    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3046    0.5575    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6931    0.9125    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.3035   -0.1533    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1482    0.5577    0.0000 N   0  0  0  0  0  0           0  0  0
    1.7602    0.9119    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3764    0.5577    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3764   -0.1506    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0811    0.5583    0.0000 C   0  0  2  0  0  0           0  0  0
    0.5351    0.9125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5351    1.6208    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0811   -0.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9895    0.9125    0.0000 O   0  5  0  0  0  0           0  0  0
   -2.5346   -3.6860    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5360    1.9693    0.0000 O   0  0  0  0  0  0           0  0  0
    9.1833   -0.2584    0.0000 N   0  0  3  0  0  0           0  0  0
    8.5291   -0.0375    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5333    0.6625    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2083   -1.3500    0.0000 C   0  0  1  0  0  0           0  0  0
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    9.6041    0.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6458   -0.9375    0.0000 O   0  0  0  0  0  0           0  0  0
    7.9416    1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2958   -2.0125    0.0000 C   0  0  1  0  0  0           0  0  0
    7.3333    0.6750    0.0000 N   0  0  0  0  0  0           0  0  0
    8.0833   -1.3500    0.0000 C   0  0  1  0  0  0           0  0  0
    7.9291   -0.3834    0.0000 N   0  0  0  0  0  0           0  0  0
    7.3333   -0.0250    0.0000 C   0  0  0  0  0  0           0  0  0
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    9.3208   -2.6125    0.0000 O   0  0  0  0  0  0           0  0  0
    7.9416   -2.6125    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4791   -1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8708   -1.3500    0.0000 O   0  0  0  0  0  0           0  0  0
    9.8083   -1.7000    0.0000 H   0  0  0  0  0  0           0  0  0
    3.1750    0.0292    0.0000 Na  0  3  0  0  0  0           0  0  0
  3 39  1  0     0  0
 12 20  1  0     0  0
 23 40  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
  2  5  1  1     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 22 25  1  6     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 27 29  2  0     0  0
  7  9  2  0     0  0
  8 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 14 17  1  1     0  0
 17 18  1  0     0  0
 15 10  1  0     0  0
 28 34  1  0     0  0
 34 35  1  0     0  0
 35 36  2  0     0  0
 34 37  1  6     0  0
 37 19  1  0     0  0
 35 30  1  0     0  0
 18 19  1  0     0  0
 32 38  1  0     0  0
 42 41  1  0     0  0
 43 42  2  0     0  0
 44 41  1  0     0  0
 45 47  2  0     0  0
 46 44  1  0     0  0
 47 41  1  0     0  0
 48 44  1  0     0  0
 49 43  1  0     0  0
 50 46  1  0     0  0
 51 54  2  0     0  0
 52 48  1  0     0  0
 53 42  1  0     0  0
 54 53  1  0     0  0
 55 49  2  0     0  0
 46 56  1  6     0  0
 50 57  1  6     0  0
 52 58  1  1     0  0
 59 58  1  0     0  0
 44 60  1  6     0  0
 43 45  1  0     0  0
 52 50  1  0     0  0
 49 51  1  0     0  0
  1  2  1  0     0  0
M  CHG  2  38  -1  61   1
M  END

$$$$
D05AJT
  -OEChem-10111523172D

 61 65  0     1  0  0  0  0  0999 V2000
    2.8660    7.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -6.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.9806    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6551   -6.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -7.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -7.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    7.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    7.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05ALP
  -OEChem-04152111292D

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M  END

$$$$
D05BCU
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 21 23  1  0     0  0
  1 10  1  0     0  0
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 22 23  2  0     0  0
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 23 24  1  0     0  0
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 25 26  1  0     0  0
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 26 27  2  0     0  0
 27 22  1  0     0  0
 12 13  1  0     0  0
 27 28  1  0     0  0
  3  7  1  0     0  0
  9 29  1  0     0  0
M  END

$$$$
D05BDY
  -OEChem-04152111282D

 53 55  0     0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  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

$$$$
D05BHF
  MDL     03120710462D 1   1.00000     0.00000     0

 43 46  0     1  0            999 V2000
   10.3792   -1.7917    0.0000 S   0  0  3  0  0  0           0  0  0
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   -3.8500    2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
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 10  5  1  0     0  0
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 17  1  2  0     0  0
 18  1  2  0     0  0
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 20  7  1  0     0  0
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 23  8  2  0     0  0
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 27 26  2  0     0  0
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 43 39  1  0     0  0
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 24 20  2  0     0  0
M  END

$$$$
D05BIN
          05200900222D 1   1.00000     0.00000     0

 48 52  0     1  0            999 V2000
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 40 29  1  0     0  0
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 17 43  1  6     0  0
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 34 36  1  0     0  0
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 46 47  1  0     0  0
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 47 48  1  0     0  0
  2  3  1  0     0  0
M  END

$$$$
D05BLN
  -OEChem-04152121562D

 74 79  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D05BPC
  -OEChem-04152122312D

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411827  1  0  0  0  0
M  END

$$$$
D05BXO
  -OEChem-10101305032D

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

$$$$
D05BYA
  -OEChem-10101305022D

 65 68  0     0  0  0  0  0  0999 V2000
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 23 48  1  0  0  0  0
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 26 50  1  0  0  0  0
 27 31  2  0  0  0  0
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 29 52  1  0  0  0  0
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 30 55  1  0  0  0  0
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 30 57  1  0  0  0  0
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 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
M  END

$$$$
D05CBJ
  -OEChem-04152111222D

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

$$$$
D05CFG
  -OEChem-10101305022D

 53 53  0     1  0  0  0  0  0999 V2000
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 27 42  1  0  0  0  0
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 31 32  1  0  0  0  0
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 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  CHG  4   7  -1  11  -1  18   1  19   1
M  END

$$$$
D05CMZ
  -OEChem-04152111112D

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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
 23 24  1  0  0  0  0
 23 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
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D05CQS
  -OEChem-10101305032D

 60 62  0     1  0  0  0  0  0999 V2000
    7.1962    4.6532    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4021   -1.3991    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.5411    1.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -0.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9899   -2.2081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5887   -3.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    4.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3520   -5.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  2 14  1  0  0  0  0
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 15  4  1  1  0  0  0
  4 43  1  0  0  0  0
  5 19  1  0  0  0  0
  6 27  1  0  0  0  0
  7 21  2  0  0  0  0
  9 23  2  0  0  0  0
 10 28  1  0  0  0  0
 10 35  1  0  0  0  0
 11 28  2  0  0  0  0
 18 12  1  6  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 21  1  0  0  0  0
 13 23  1  0  0  0  0
 13 45  1  0  0  0  0
 24 14  1  6  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 36  1  0  0  0  0
 16 19  1  6  0  0  0
 16 37  1  0  0  0  0
 17 18  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
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  1  0  0  0  0
 24 47  1  0  0  0  0
 25 29  2  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
 27 30  2  0  0  0  0
 27 31  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 33  2  0  0  0  0
 31 54  1  0  0  0  0
 32 34  2  0  0  0  0
 32 55  1  0  0  0  0
 33 34  1  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
 35 60  1  0  0  0  0
M  END

$$$$
D05DBY
          09020900062D 1   1.00000     0.00000     0

 12 11  0     1  0            999 V2000
    4.4292   -3.1999    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0167   -2.4874    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1917   -2.4874    0.0000 C   0  0  2  0  0  0           0  0  0
    2.7792   -1.7708    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9542   -1.7708    0.0000 C   0  0  1  0  0  0           0  0  0
    1.5417   -2.4874    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7167   -2.4874    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3042   -3.1999    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2542   -3.1999    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0167   -3.9165    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5417   -1.0543    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7792   -3.1999    0.0000 N   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
  6  5  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  1  9  2  0     0  0
  1 10  1  0     0  0
  5 11  1  1     0  0
  3 12  1  1     0  0
M  END

$$$$
D05DPU
  -OEChem-03141904542D

 38 39  0     0  0  0  0  0  0999 V2000
    8.0622    2.7500    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
    6.3301   -1.2500    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
    6.3301    1.7500    0.0000 N   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
    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
    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
    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
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  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
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  4 18  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 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
  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 26  1  0  0  0  0
  9 29  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  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 18  1  0  0  0  0
 14 16  2  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
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D05ECK
  -OEChem-10191523012D

120125  0     1  0  0  0  0  0999 V2000
   10.3351    1.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6423    4.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0030    0.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6959   -2.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3637   -3.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9744    5.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138   -0.2365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6888    2.2026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3531    3.6912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3387   -0.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6529   -1.8508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7568   -2.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6680    0.8550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9886   -3.3394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3281    6.1304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    5.3055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3619   -5.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0228   -6.7197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9850   -1.1064    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   14.2957   -0.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3602   -0.7746    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   15.2742    0.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3316    3.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6923   -0.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0065   -1.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8106   -1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0112   -0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05ECQ
  -OEChem-04152111092D

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 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

$$$$
D05ELM
  -OEChem-02061504262D

 15 13  0     0  0  0  0  0  0999 V2000
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  6 12  1  0  0  0  0
M  END

$$$$
D05EMV
  -OEChem-04152109242D

 34 35  0     0  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

$$$$
D05ENJ
  -OEChem-04152109502D

101104  0     1  0  0  0  0  0999 V2000
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 37 88  1  0  0  0  0
 38 40  2  0  0  0  0
 38 41  1  0  0  0  0
 39 40  1  0  0  0  0
 39 89  1  0  0  0  0
 41 90  1  0  0  0  0
 41 91  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 44 47  1  0  0  0  0
 44 92  1  0  0  0  0
 45 46  1  0  0  0  0
 45 48  1  0  0  0  0
 46 50  2  0  0  0  0
 46 51  1  0  0  0  0
 47 48  2  0  0  0  0
 47 93  1  0  0  0  0
 48 94  1  0  0  0  0
 49 50  1  0  0  0  0
 49 52  1  0  0  0  0
 50 95  1  0  0  0  0
 51 96  1  0  0  0  0
 51 97  1  0  0  0  0
 51 98  1  0  0  0  0
 52 99  1  0  0  0  0
 52100  1  0  0  0  0
 52101  1  0  0  0  0
M  CHG  2   3  -1  14   1
M  END

$$$$
D05EPU
  -OEChem-10101305022D

 60 61  0     1  0  0  0  0  0999 V2000
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    2.8660   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 32  1  0  0  0  0
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 16 19  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 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
 22 26  2  0  0  0  0
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 23 27  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 28  1  0  0  0  0
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 25 29  2  0  0  0  0
 25 52  1  0  0  0  0
 26 29  1  0  0  0  0
 26 53  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 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

$$$$
D05EUR
  -OEChem-03141904512D

 67 73  0     1  0  0  0  0  0999 V2000
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 10 39  2  0  0  0  0
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 13 30  2  0  0  0  0
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 28 29  1  0  0  0  0
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 31 36  1  0  0  0  0
 31 37  2  0  0  0  0
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 36 38  2  0  0  0  0
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 38 41  1  0  0  0  0
 38 64  1  0  0  0  0
 40 41  2  0  0  0  0
 40 65  1  0  0  0  0
 41 66  1  0  0  0  0
M  END

$$$$
D05EXN
  -OEChem-04152109382D

 56 59  0     0  0  0  0  0  0999 V2000
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 29 55  1  0  0  0  0
M  END

$$$$
D05FBZ
  -OEChem-10121501532D

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M  END

$$$$
D05FCR
  -OEChem-03141904492D

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 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 34  1  0  0  0  0
 31 33  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 35 36  2  0  0  0  0
 35 54  1  0  0  0  0
 36 55  1  0  0  0  0
M  END

$$$$
D05FGR
  -OEChem-10121501282D

 31 32  0     1  0  0  0  0  0999 V2000
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  2 31  1  0  0  0  0
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 10 22  1  0  0  0  0
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 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

$$$$
D05FIJ
  -OEChem-04152111272D

 77 81  0     1  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
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 33 34  2  0  0  0  0
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 38 74  1  0  0  0  0
 39 75  1  0  0  0  0
 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
M  END

$$$$
D05FKU
  -OEChem-03141904452D

 46 49  0     0  0  0  0  0  0999 V2000
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 10 22  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
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 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
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 24 41  1  0  0  0  0
 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 29  2  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 46  1  0  0  0  0
M  END

$$$$
D05FQD
  -OEChem-10101305032D

 22 22  0     0  0  0  0  0  0999 V2000
    2.0000   -2.8100    0.0000 I   4  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
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  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
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 10 11  1  0  0  0  0
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M  ISO  1   1 131
M  END

$$$$
D05FUU
  MDL     03120710462D 1   1.00000     0.00000     0

 32 36  0     0  0            999 V2000
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 10  6  1  0     0  0
 11 12  2  0     0  0
 12 15  1  0     0  0
 13  2  1  0     0  0
 14  1  1  0     0  0
 15 17  1  0     0  0
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 20  4  1  0     0  0
 21  5  1  0     0  0
 22 19  2  0     0  0
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 26 13  1  0     0  0
 27 21  1  0     0  0
 28 20  1  0     0  0
 29 25  2  0     0  0
 30 29  1  0     0  0
 31 26  1  0     0  0
 32 27  1  0     0  0
  3  4  1  0     0  0
 15 18  2  0     0  0
 28 31  1  0     0  0
 30 24  2  0     0  0
  7  9  2  0     0  0
M  END

$$$$
D05FWH
  -OEChem-04152110052D

 41 44  0     1  0  0  0  0  0999 V2000
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 20 34  1  0  0  0  0
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M  END

$$$$
D05GEF
          04201000072D 1   1.00000     0.00000     0

 43 45  0     1  0            999 V2000
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    3.7167   -2.2167    0.0000 H   0  0  0  0  0  0           0  0  0
  2  5  1  0     0  0
  3  4  1  0     0  0
  4  1  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  2  9  1  6     0  0
 10  7  2  0     0  0
 11  7  1  0     0  0
  1 12  1  1     0  0
 13 10  1  0     0  0
 14  8  2  0     0  0
 15 19  2  0     0  0
 16 11  2  0     0  0
 17 12  1  0     0  0
 18 21  1  0     0  0
 19 14  1  0     0  0
 20  4  1  0     0  0
 21 30  1  0     0  0
 22 18  1  0     0  0
 23 22  2  0     0  0
 24 23  1  0     0  0
 25 17  2  0     0  0
 26 18  2  0     0  0
  5 27  1  6     0  0
  6 28  1  6     0  0
 29 24  2  0     0  0
 30 17  1  0     0  0
 20 31  1  6     0  0
 32 33  1  0     0  0
 33 20  1  0     0  0
 34 29  1  0     0  0
 35 34  1  0     0  0
 36 37  1  0     0  0
 37 40  1  0     0  0
 38 39  1  0     0  0
 39 35  1  0     0  0
 40 41  1  0     0  0
 41 38  1  0     0  0
 42 36  1  0     0  0
  4 43  1  1     0  0
  2  3  1  0     0  0
 10 15  1  0     0  0
 16 13  1  0     0  0
M  END

$$$$
D05GNW
          02231000072D 1   1.00000     0.00000     0

 39 43  0     1  0            999 V2000
    3.4854   -0.2679    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1542   -0.0542    0.0000 N   0  3  1  0  0  0           0  0  0
    3.6954    0.3669    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8310   -0.4423    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1430    0.8454    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3535    0.5686    0.0000 C   0  0  2  0  0  0           0  0  0
    4.9990    0.1866    0.0000 C   0  0  1  0  0  0           0  0  0
    4.3896    1.3322    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9257    0.9082    0.0000 H   0  0  0  0  0  0           0  0  0
    2.8333   -0.7083    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2558   -1.1242    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4750   -1.8042    0.0000 N   0  0  0  0  0  0           0  0  0
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   -0.1931   -1.1291    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.7375   -1.8125    0.0000 Br  0  5  0  0  0  0           0  0  0
 19 20  1  0     0  0
  6  9  1  6     0  0
 20 21  2  0     0  0
 11 12  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 18  1  0     0  0
 22 15  1  0     0  0
 15 11  1  0     0  0
  1  2  1  0     0  0
 17 24  2  0     0  0
  1  3  1  0     0  0
 24 25  1  0     0  0
  2  4  1  0     0  0
 25 26  2  0     0  0
  2  5  1  0     0  0
 26 27  1  0     0  0
 10 11  1  0     0  0
 27 28  2  0     0  0
 28 17  1  0     0  0
 12 13  1  0     0  0
 14 29  1  0     0  0
  2 29  1  1     0  0
 13 14  1  0     0  0
  7 30  1  1     0  0
 14 10  2  0     0  0
 30 31  1  0     0  0
 16 15  1  0     0  0
 31 32  2  0     0  0
 15 17  1  0     0  0
 32 33  1  0     0  0
  3  6  1  0     0  0
 33 34  2  0     0  0
  4  7  1  0     0  0
 34 35  1  0     0  0
  5  8  1  0     0  0
 35 36  2  0     0  0
 36 31  1  0     0  0
  6  7  1  0     0  0
 34 37  1  0     0  0
  6  8  1  0     0  0
 35 38  1  0     0  0
 18 19  2  0     0  0
M  CHG  2   2   1  39  -1
M  END

$$$$
D05GUK
  SciTegic06181209252D

 26 29  0  0  0  0            999 V2000
    9.1027    0.2413    0.0000 O   0  0
    4.6648    1.2537    0.0000 N   0  0
    4.4932   -1.2032    0.0000 N   0  0
    5.9222   -1.2032    0.0000 N   0  0
    8.7801   -1.2032    0.0000 N   0  0
    5.8208    0.5863    0.0000 C   0  0
    5.2077    0.0343    0.0000 C   0  0
    4.4932    0.4468    0.0000 C   0  0
    5.4852    1.3400    0.0000 C   0  0
    6.6413    0.5001    0.0000 C   0  0
    5.2077   -0.7907    0.0000 C   0  0
    7.1262    1.1675    0.0000 C   0  0
    3.7788    0.0343    0.0000 C   0  0
    5.9702    2.0074    0.0000 C   0  0
    6.7906    1.9212    0.0000 C   0  0
    6.9768   -0.2536    0.0000 C   0  0
    3.7788   -0.7907    0.0000 C   0  0
    7.9467    1.0813    0.0000 C   0  0
    8.2822    0.3276    0.0000 C   0  0
    7.7973   -0.3399    0.0000 C   0  0
    3.0643    0.4468    0.0000 C   0  0
    6.6366   -0.7907    0.0000 C   0  0
    7.3511   -1.2032    0.0000 C   0  0
    8.0656   -0.7907    0.0000 C   0  0
    9.4945   -0.7907    0.0000 C   0  0
    8.7801   -2.0282    0.0000 C   0  0
  1 19  1  0
  2  8  1  0
  2  9  1  0
  3 11  2  0
  3 17  1  0
  4 11  1  0
  4 22  1  0
  5 24  1  0
  5 25  1  0
  5 26  1  0
  6  7  1  0
  6  9  2  0
  6 10  1  0
  7  8  2  0
  7 11  1  0
  8 13  1  0
  9 14  1  0
 10 12  2  0
 10 16  1  0
 12 15  1  0
 12 18  1  0
 13 17  2  0
 13 21  1  0
 14 15  2  0
 16 20  2  0
 18 19  2  0
 19 20  1  0
 22 23  1  0
 23 24  1  0
M  END

$$$$
D05GYL
          09251001452D 1   1.00000     0.00000     0

 19 22  0     0  0            999 V2000
   -3.1649    2.8048    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9481    2.3548    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.9481    1.4506    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1649    1.0006    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3815    1.4506    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3815    2.3548    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.3559    0.1145    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.6176    0.8471    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2525    0.0222    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9220   -0.5811    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7052   -0.1311    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.5141    0.7508    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1649    3.7078    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.6024    1.0006    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.7293    1.2295    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4961    0.3606    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.3692    0.1275    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2871   -0.0894    0.0000 N   0  0  0  0  0  0           0  0  0
    1.0704    0.3606    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  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  6  1  2  0     0  0
  9  8  2  0     0  0
  9  7  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 12  8  1  0     0  0
 10  9  1  0     0  0
  8  3  1  0     0  0
  7  4  1  0     0  0
  1 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 17 14  1  0     0  0
 18 19  1  0     0  0
 16 18  1  0     0  0
  5 14  1  0     0  0
M  END

$$$$
D05GYU
  -OEChem-03141904522D

 44 47  0     1  0  0  0  0  0999 V2000
    2.0000    3.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1969   -2.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323   -0.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663   -2.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0003    2.4998    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8663    2.9998    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3304   -2.0002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3304   -3.0002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8663    0.9998    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7323    1.4998    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0003    1.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323    2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983   -2.0002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5983   -3.0002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4644   -1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4644   -3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983    0.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323   -1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323   -3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503    2.4997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914    3.7358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6024    0.5748    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
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  3 17  1  0  0  0  0
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  9 17  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  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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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  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
 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
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 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

$$$$
D05GZD
  -OEChem-10121501312D

 90 95  0     0  0  0  0  0  0999 V2000
    6.3301    4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -6.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -6.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0000    0.0000 N   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
    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
    9.7942    1.0000    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
   10.6603   -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
    7.1962    2.5000    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
    8.0622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05HAD
  -OEChem-04152111072D

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M  END

$$$$
D05HBZ
  -OEChem-04152109102D

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 13  6  1  1  0  0  0
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 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
M  END

$$$$
D05HGL
          01280517592D 1   1.00000     0.00000     0

 34 36  0     0  0            999 V2000
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  7 11  3  0     0  0
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  9 22  1  0     0  0
 10  5  1  0     0  0
 11 20  1  0     0  0
 12  6  1  0     0  0
 13 10  2  0     0  0
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 15  1  2  0     0  0
 16  2  2  0     0  0
 17  4  1  0     0  0
 18  4  2  0     0  0
 19  1  1  0     0  0
 20 17  2  0     0  0
 21  3  2  0     0  0
 22 28  1  0     0  0
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 27  9  2  0     0  0
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 31 23  1  0     0  0
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 33 30  1  0     0  0
 34 13  1  0     0  0
 25  8  2  0     0  0
 30 16  1  0     0  0
 20 29  1  0     0  0
M  END

$$$$
D05HTS
  -OEChem-04152111302D

 59 64  0     1  0  0  0  0  0999 V2000
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   16.5101    1.9010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 36 57  1  0  0  0  0
 37 38  1  0  0  0  0
 38 58  1  0  0  0  0
M  END

$$$$
D05HWN
          06250800062D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
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    6.4875   -3.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8375   -5.5917    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  2  0     0  0
  7  2  2  0     0  0
  8  4  1  0     0  0
  9  3  1  0     0  0
 10 11  2  0     0  0
 11 14  1  0     0  0
 12 10  1  0     0  0
 13 11  1  0     0  0
 14  3  1  0     0  0
 15 16  1  0     0  0
 16 13  2  0     0  0
 17  8  1  0     0  0
 18  7  1  0     0  0
 19 12  1  0     0  0
 20 10  1  0     0  0
 21 15  1  0     0  0
 22 19  1  0     0  0
  5  9  2  0     0  0
  6  7  1  0     0  0
 15 12  2  0     0  0
M  END

$$$$
D05HYT
  SciTegic11111309142D

 37 38  0  0  0  0            999 V2000
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    1.1721   -4.1836    0.0000 C   0  0
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   -0.1428   -4.9362    0.0000 C   0  0
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   -0.7630   -5.2684    0.0000 C   0  0
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   -0.5357   -3.6350    0.0000 C   0  0
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   -0.7630   -5.9906    0.0000 C   0  0
   -0.5357   -2.9163    0.0000 C   0  0
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    9.3784   -3.2385    0.0000 O   0  0
 17 21  1  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
  2  5  1  0
  2  6  1  0
  3  7  1  0
  3  8  1  0
  4  9  1  0
  4 10  2  0
  5 11  2  0
  5 12  1  0
  8 13  1  0
  9 14  2  0
 10 15  1  0
 11 16  1  0
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 13 18  1  0
 13 19  2  0
 14 20  1  0
 16 21  2  0
 18 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
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 26 28  1  0
 27 29  1  0
  6  7  2  0
 15 20  2  0
 30 31  2  0
 30 32  1  0
 31 35  1  0
 32 33  1  0
 32 34  2  0
 35 36  1  0
 35 37  2  0
M  ENDM  END

$$$$
D05HZJ
          03231100282D 1   1.00000     0.00000     0

 77 79  0     1  0            999 V2000
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 35 36  1  0     0  0
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 46 47  1  0     0  0
 47 48  1  0     0  0
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 50 51  1  0     0  0
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 59 60  1  0     0  0
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 33 34  2  0     0  0
  5  7  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 17 20  1  0     0  0
 20 21  1  1     0  0
 20 22  1  0     0  0
  8  9  1  0     0  0
 17 23  1  6     0  0
 66 67  1  0     0  0
 67 68  1  0     0  0
 68 69  2  0     0  0
 67 70  1  1     0  0
 70 76  1  0     0  0
 76 71  1  0     0  0
 71 72  2  0     0  0
 72 73  1  0     0  0
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 75 76  2  0     0  0
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 61 55  1  0     0  0
 57 46  1  0     0  0
 48 35  1  0     0  0
 37 24  1  0     0  0
 26 16  1  0     0  0
 18  8  1  0     0  0
 10  1  1  0     0  0
  9 10  1  0     0  0
  3 77  1  0     0  0
M  END

$$$$
D05ICT
  -OEChem-03141904472D

 66 69  0     0  0  0  0  0  0999 V2000
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 36 64  1  0  0  0  0
 36 65  1  0  0  0  0
 36 66  1  0  0  0  0
M  END

$$$$
D05IIN
  -OEChem-10101305032D

 61 64  0     1  0  0  0  0  0999 V2000
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 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D05IIP
  -OEChem-02041521312D

 39 41  0     0  0  0  0  0  0999 V2000
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 26 37  1  0  0  0  0
M  END

$$$$
D05IRT
  -OEChem-04152109442D

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    6.6230    3.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4910    4.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4832    2.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9466    9.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 50  1  0  0  0  0
  3 14  1  0  0  0  0
  3 42  1  0  0  0  0
  4 16  1  0  0  0  0
  4 22  1  0  0  0  0
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  5 43  1  0  0  0  0
  6 20  1  0  0  0  0
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  7 21  2  0  0  0  0
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  9 30  1  1  0  0  0
 10 14  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
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 12 35  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  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 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 44  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
 26 28  1  0  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  2  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D05IRV
  -OEChem-10101305022D

 47 48  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    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
    3.7320   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.0000    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
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    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   -3.5000    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
    6.3301    3.5000    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    2.0000    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
    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
    7.1962    5.0000    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
    8.9282    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
    8.0622    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    5.0000    0.0000 C   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
    3.9875    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
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 12 14  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  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
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  2  0  0  0  0
 20 40  1  0  0  0  0
 21 25  2  0  0  0  0
 21 41  1  0  0  0  0
 22 26  2  0  0  0  0
 22 42  1  0  0  0  0
 23 27  2  0  0  0  0
 23 43  1  0  0  0  0
 24 26  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
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D05JET
  -OEChem-10101305032D

 40 41  0     1  0  0  0  0  0999 V2000
    2.5369    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2690   -0.3100    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
    3.2690   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.4220    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    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    1.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7690    2.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    3.3100    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  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
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  3 39  1  0  0  0  0
  3 40  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 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  2  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 12  2  0  0  0  0
  8 13  1  0  0  0  0
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  9 27  1  0  0  0  0
 10 15  2  0  0  0  0
 10 28  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 29  1  0  0  0  0
 13 19  2  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 17  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
 17 35  1  0  0  0  0
 18 20  2  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
 20 38  1  0  0  0  0
M  END

$$$$
D05JFA
  SciTegic01161211222D

 43 43  0  0  0  0            999 V2000
   21.1462   -4.5021    0.0000 C   0  0
   20.4317   -4.0894    0.0000 C   0  0
   19.7173   -4.5021    0.0000 O   0  0
   19.0028   -4.0894    0.0000 C   0  0
   18.2947   -4.5021    0.0000 C   0  0
   17.5803   -4.0894    0.0000 O   0  0
   16.8723   -4.5021    0.0000 C   0  0
   16.1579   -4.0894    0.0000 C   0  0
   15.4435   -4.5021    0.0000 O   0  0
   14.7290   -4.0894    0.0000 C   0  0
   14.0146   -4.5021    0.0000 C   0  0
   13.3066   -4.0894    0.0000 O   0  0
   12.5922   -4.5021    0.0000 C   0  0
   11.8777   -4.0894    0.0000 C   0  0
   11.1698   -4.5021    0.0000 O   0  0
   10.4553   -4.0894    0.0000 C   0  0
    9.7472   -4.5021    0.0000 C   0  0
    9.0328   -4.0894    0.0000 O   0  0
    8.3183   -4.5021    0.0000 C   0  0
    7.6039   -4.0894    0.0000 C   0  0
    6.8894   -4.5021    0.0000 O   0  0
    6.1815   -4.0894    0.0000 C   0  0
    5.4671   -4.5021    0.0000 C   0  0
    4.7526   -4.0894    0.0000 O   0  0
    4.0382   -4.5021    0.0000 C   0  0
    3.3302   -4.0894    0.0000 C   0  0
    2.6158   -4.5021    0.0000 O   0  0
    1.9077   -4.0894    0.0000 C   0  0
    1.1934   -4.5021    0.0000 C   0  0
    0.4789   -4.0894    0.0000 C   0  0
    0.4789   -3.2705    0.0000 C   0  0
    1.1934   -2.8579    0.0000 C   0  0
    1.9078   -3.2705    0.0000 C   0  0
   -0.2355   -2.8579    0.0000 C   0  0
   -0.9500   -3.2705    0.0000 C   0  0
   -1.6581   -2.8579    0.0000 C   0  0
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   -3.0870   -2.8579    0.0000 C   0  0
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   -4.5093   -2.8579    0.0000 C   0  0
   -5.2173   -3.2705    0.0000 C   0  0
   -5.9317   -2.8579    0.0000 C   0  0
   21.8541   -4.0894    0.0000 O   0  0
  1  2  1  0
  4  5  1  0
  3  4  1  0
  7  8  1  0
  6  7  1  0
 10 11  1  0
  9 10  1  0
 13 14  1  0
 12 13  1  0
 16 17  1  0
 15 16  1  0
 19 20  1  0
 18 19  1  0
 22 23  1  0
 21 22  1  0
 25 26  1  0
 24 25  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 28 33  2  0
 27 28  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 31 34  1  0
 26 27  1  0
 23 24  1  0
 20 21  1  0
 17 18  1  0
 14 15  1  0
 11 12  1  0
  8  9  1  0
  5  6  1  0
  2  3  1  0
  1 43  1  0
M  END

$$$$
D05JSU
  -OEChem-10101305022D

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  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
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  4 14  1  0  0  0  0
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 15 35  1  0  0  0  0
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 23 47  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
M  END

$$$$
D05KBP
          05171100322D 1   1.00000     0.00000     0

 28 31  0     1  0            999 V2000
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    1.1843    3.4246    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.8764   -1.2439    0.0000 C   0  0  2  0  0  0           0  0  0
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 13  9  1  0     0  0
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 22 16  1  0     0  0
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 16 17  2  0     0  0
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 18 19  2  0     0  0
 19 23  1  0     0  0
 22 23  2  0     0  0
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  3  4  1  0     0  0
 21 11  1  0     0  0
 10 11  1  0     0  0
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 20 21  2  0     0  0
 11 22  1  0     0  0
 23 20  1  0     0  0
 12 14  1  0     0  0
 19 24  1  0     0  0
  5  1  1  0     0  0
 10 25  1  6     0  0
 12 26  1  0     0  0
 13 14  1  1     0  0
 26 27  1  0     0  0
  9  6  1  0     0  0
 26 28  2  0     0  0
 24  5  1  0     0  0
M  CHG  2  26   1  27  -1
M  END

$$$$
D05KBU
  -OEChem-04152122292D

 50 50  0     1  0  0  0  0  0999 V2000
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 23 50  1  0  0  0  0
M  END

$$$$
D05KED
  -OEChem-04152111242D

 59 61  0     0  0  0  0  0  0999 V2000
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 30 32  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END

$$$$
D05KIV
  -OEChem-03141904512D

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M  END

$$$$
D05KNG
          06181000482D 1   1.00000     0.00000     0

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 15 49  1  6     0  0
 50 25  1  0     0  0
 51 27  1  0     0  0
 52 28  1  0     0  0
 37 53  1  1     0  0
 54 26  1  0     0  0
 55 29  1  0     0  0
 56 37  1  0     0  0
 57 39  1  0     0  0
 58 51  1  0     0  0
 59 52  1  0     0  0
 60 49  1  0     0  0
 61 56  1  0     0  0
 62 54  2  0     0  0
 63 55  2  0     0  0
 13 64  1  1     0  0
 16 65  1  6     0  0
 19 17  2  0     0  0
 26 29  2  0     0  0
 30 46  1  0     0  0
 30 43  1  0     0  0
 14 13  1  0     0  0
 62 63  1  0     0  0
 25 40  1  0     0  0
 18 11  1  0     0  0
 42 35  2  0     0  0
 38 66  1  1     0  0
 62 67  1  0     0  0
 67 68  1  0     0  0
 10 19  1  0     0  0
 11 13  1  0     0  0
 12  6  1  0     0  0
M  END

$$$$
D05KVC
          07040600072D 1   1.00000     0.00000     0

 30 33  0     0  0            999 V2000
    0.7060   -3.6666    0.0000 C   0  0  3  0  0  0           0  0  0
    1.0643   -3.0541    0.0000 F   0  0  0  0  0  0           0  0  0
    0.3547   -3.0500    0.0000 F   0  0  0  0  0  0           0  0  0
    1.3194   -4.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3182   -4.7315    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9331   -5.0860    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5453   -4.7310    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5425   -4.0172    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9313   -3.6664    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1547   -3.6610    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7667   -4.0150    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3786   -3.6594    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3766   -2.9503    0.0000 N   0  0  3  0  0  0           0  0  0
    3.7577   -2.5983    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1484   -2.9559    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0925   -4.0207    0.0000 F   0  0  0  0  0  0           0  0  0
    4.9884   -2.5933    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6035   -2.9446    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2153   -2.5876    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8305   -2.9404    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4418   -2.5840    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4389   -1.8749    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8196   -1.5238    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2107   -1.8822    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0492   -1.5182    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6650   -1.8702    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2759   -1.5130    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2720   -0.8039    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6522   -0.4535    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0438   -0.8128    0.0000 C   0  0  0  0  0  0           0  0  0
 15 10  1  0     0  0
  4  1  1  0     0  0
  4  5  2  0     0  0
  1 16  1  0     0  0
  8  9  2  0     0  0
 13 17  1  0     0  0
  9  4  1  0     0  0
 17 18  1  0     0  0
  1  3  1  0     0  0
 18 19  1  0     0  0
  8 10  1  0     0  0
 19 20  2  0     0  0
  5  6  1  0     0  0
 20 21  1  0     0  0
 10 11  2  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 11 12  1  0     0  0
 23 24  2  0     0  0
 24 19  1  0     0  0
  6  7  2  0     0  0
 12 13  1  0     0  0
 25 26  2  0     0  0
  2  1  1  0     0  0
 26 27  1  0     0  0
 13 14  1  0     0  0
 27 28  2  0     0  0
  7  8  1  0     0  0
 28 29  1  0     0  0
 14 15  1  0     0  0
 29 30  2  0     0  0
 30 25  1  0     0  0
 22 25  1  0     0  0
M  END

$$$$
D05KZM
  -OEChem-10101305032D

 24 21  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    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
    7.1962   -0.2500    0.0000 S   0  0  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
   11.5263    0.2500    0.0000 Na  0  3  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
   10.6603    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    1.1160    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
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    5.4641   -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
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  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 13  1  0  0  0  0
  2  8  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
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  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   6   1   7  -1   8  -1
M  END

$$$$
D05LGX
  -OEChem-10101305022D

 32 34  0     1  0  0  0  0  0999 V2000
    2.0000    1.1850    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9369   -1.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758   -0.9028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9369   -0.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8324    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8880   -0.0938    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 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 29  1  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 10  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 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 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  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 15  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D05LKZ
          11210700352D 1   1.00000     0.00000     0

 38 43  0     0  0            999 V2000
    9.9872   -0.4222    0.0000 F   0  0  0  0  0  0           0  0  0
    9.9914    0.2861    0.0000 F   0  0  0  0  0  0           0  0  0
    9.3759   -0.0644    0.0000 C   0  0  3  0  0  0           0  0  0
    3.0986   -0.7888    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9402    0.2750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9391   -0.4357    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5539   -0.7902    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5521    0.6295    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8394    0.4974    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1633    0.2787    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1634   -0.4325    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8403   -0.6510    0.0000 N   0  0  0  0  0  0           0  0  0
    7.2563   -0.0742    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3254   -0.7895    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.9663   -1.2979    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3215   -1.9099    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7126    0.2734    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.1003   -1.4948    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1969   -1.7110    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8721   -1.4957    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8750   -0.7864    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.7834   -1.1392    0.0000 N   0  0  0  0  0  0           0  0  0
    9.0177    0.5467    0.0000 F   0  0  0  0  0  0           0  0  0
 18 19  2  0     0  0
  3  2  1  0     0  0
 19 20  1  0     0  0
  1  3  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
  5  6  1  0     0  0
 22 23  2  0     0  0
 23 18  1  0     0  0
  5 24  1  0     0  0
 24 25  1  0     0  0
  9 10  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13  9  1  0     0  0
 24 29  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
  6  7  2  0     0  0
 15  4  1  0     0  0
  6 14  1  0     0  0
  4 30  2  0     0  0
 30 35  1  0     0  0
  7 11  1  0     0  0
 34 31  1  0     0  0
 14 15  1  0     0  0
 31 32  2  0     0  0
 32  4  1  0     0  0
 34 35  2  0     0  0
 14 16  2  0     0  0
 10  8  1  0     0  0
 13 17  1  0     0  0
  8  5  2  0     0  0
 33 34  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 33  2  0     0  0
 23  3  1  0     0  0
 17 18  1  0     0  0
  3 38  1  0     0  0
 10 11  2  0     0  0
M  END

$$$$
D05LPW
  -OEChem-02061504032D

 54 55  0     1  0  0  0  0  0999 V2000
    9.7942   -1.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1900    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
    6.3301    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6900    0.0000 C   0  0  2  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
    4.5981    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6900    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
    7.1962    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3100    0.0000 C   0  0  1  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
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    2.0000    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    3.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.3240    0.0000 C   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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 17  9  1  1  0  0  0
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 23 24  1  0  0  0  0
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 25 53  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D05LRD
  -OEChem-04152111262D

 43 47  0     1  0  0  0  0  0999 V2000
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 10  1  1  1  0  0  0
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 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
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 24 43  1  0  0  0  0
M  END

$$$$
D05LTJ
  -OEChem-10101305022D

 49 52  0     0  0  0  0  0  0999 V2000
    7.2566    1.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8385    1.6552    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 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END

$$$$
D05MDJ
  -OEChem-04152109372D

 62 67  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05MHI
  -OEChem-02061503552D

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M  END

$$$$
D05MOZ
  -OEChem-04152111172D

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M  END

$$$$
D05MVA
  -OEChem-04152111012D

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 20  8  1  1  0  0  0
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 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 37 81  1  0  0  0  0
M  END

$$$$
D05NDN
  -OEChem-10101305022D

 30 31  0     1  0  0  0  0  0999 V2000
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 10  1  1  1  0  0  0
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 13 15  2  0  0  0  0
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 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END

$$$$
D05NFR
  -OEChem-04152110502D

 44 47  0     1  0  0  0  0  0999 V2000
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 20 25  2  0  0  0  0
 20 40  1  0  0  0  0
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 22 41  1  0  0  0  0
 23 25  1  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
M  END

$$$$
D05NJI
  -OEChem-10101305032D

 36 38  0     0  0  0  0  0  0999 V2000
    7.6725   -2.1165    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8826    1.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0166    3.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4244    0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3797    0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 35  1  0  0  0  0
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 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

$$$$
D05NZV
  -OEChem-10101305022D

 50 51  0     1  0  0  0  0  0999 V2000
    8.9282    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  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
M  END

$$$$
D05OMT
  -OEChem-10101305032D

 55 59  0     0  0  0  0  0  0999 V2000
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 34 55  1  0  0  0  0
M  END

$$$$
D05ONA
          11050900072D 1   1.00000     0.00000     0

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 17 21  1  0     0  0
 45 46  2  0     0  0
 46 41  1  0     0  0
  3 32  1  0     0  0
M  END

$$$$
D05OQG
  -OEChem-10101305032D

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 48 88  1  0  0  0  0
M  END

$$$$
D05OQX
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
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    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    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
    6.3301   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -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
    2.0000   -2.5000    0.0000 C   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
    6.3301    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.1900    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
    6.8671   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.0369    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 15  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4 18  2  0  0  0  0
  5 23  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  2  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 16  2  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 17  2  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
 15 20  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 22  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 34  1  0  0  0  0
 23 24  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
M  CHG  2   6  -1   8   1
M  END

$$$$
D05OTL
          12300800062D 1   1.00000     0.00000     0

 22 21  0     0  0            999 V2000
    1.8694   -1.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8682   -2.4857    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4831   -2.8402    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0953   -2.4852    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0925   -1.7713    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4813   -1.4205    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7047   -1.4151    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3193   -1.7673    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9316   -1.4111    0.0000 N   0  0  0  0  0  0           0  0  0
    5.5462   -1.7633    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1585   -1.4071    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7731   -1.7592    0.0000 N   0  0  3  0  0  0           0  0  0
    6.1561   -0.6988    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7754   -2.4676    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3853   -1.4031    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2560   -1.4207    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6425   -1.7749    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0291   -1.4206    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5843   -1.7747    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1977   -1.4205    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4500   -1.9875    0.0000 H   0  0  0  0  0  0           0  0  0
    9.1583   -1.9875    0.0000 Cl  0  0  0  0  0  0           0  0  0
  4  5  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  5  6  2  0     0  0
 11 13  2  0     0  0
  6  1  1  0     0  0
 12 14  1  0     0  0
  2  3  1  0     0  0
 12 15  1  0     0  0
  5  7  1  0     0  0
  1 16  1  0     0  0
 16 17  1  0     0  0
  7  8  1  0     0  0
 17 18  1  0     0  0
  3  4  2  0     0  0
 18 19  1  0     0  0
  8  9  1  0     0  0
 19 20  1  0     0  0
  1  2  2  0     0  0
  9 10  1  0     0  0
 21 22  1  0     0  0
M  END

$$$$
D05OTZ
          06121000082D 1   1.00000     0.00000     0

 35 39  0     1  0            999 V2000
    2.1458   -0.6024    0.0000 C   0  0  3  0  0  0           0  0  0
    1.8010   -1.2226    0.0000 F   0  0  0  0  0  0           0  0  0
    2.5105   -1.2111    0.0000 F   0  0  0  0  0  0           0  0  0
    2.7537   -0.2387    0.0000 O   0  0  0  0  0  0           0  0  0
   10.1572   -2.2369    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1427   -1.5263    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5203   -1.1854    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5533   -2.6047    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9345   -2.2674    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9194   -1.5515    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2953   -1.2085    0.0000 C   0  0  1  0  0  0           0  0  0
    7.6823   -1.5776    0.0000 N   0  0  3  0  0  0           0  0  0
    7.6974   -2.2935    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3255   -2.6403    0.0000 N   0  0  0  0  0  0           0  0  0
    7.0912   -2.6599    0.0000 O   0  0  0  0  0  0           0  0  0
    7.0621   -1.2339    0.0000 C   0  0  3  0  0  0           0  0  0
    7.0499   -0.5248    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4331   -0.1829    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8246   -0.5461    0.0000 N   0  0  3  0  0  0           0  0  0
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    6.4577   -1.6010    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.9798   -0.2201    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3725   -0.5834    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3834   -1.2924    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0067   -1.6365    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6115   -1.2712    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2814   -0.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8891   -0.1385    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8755    0.5690    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2547    0.9117    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6464    0.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6630   -0.1647    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5269   -0.2577    0.0000 F   0  0  0  0  0  0           0  0  0
  6  7  1  0     0  0
 16 21  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 12 16  1  0     0  0
  7 10  2  0     0  0
 19 22  1  0     0  0
  2  1  1  0     0  0
 22 23  1  0     0  0
  9 14  1  0     0  0
 23 24  2  0     0  0
 10 11  1  0     0  0
 24 25  1  0     0  0
 11 12  1  0     0  0
 25 26  2  0     0  0
 12 13  1  0     0  0
 26 27  1  0     0  0
 13 14  1  0     0  0
 27 28  2  0     0  0
 28 23  1  0     0  0
  9  8  2  0     0  0
 13 15  2  0     0  0
 29 30  2  0     0  0
 16 17  1  0     0  0
 30 31  1  0     0  0
  8  5  1  0     0  0
 31 32  2  0     0  0
  9 10  1  0     0  0
 32 33  1  0     0  0
  1  3  1  0     0  0
 33 34  2  0     0  0
 34 29  1  0     0  0
 11 29  1  1     0  0
 25  4  1  0     0  0
  4  1  1  0     0  0
  5  6  2  0     0  0
  1 35  1  0     0  0
M  END

$$$$
D05OZQ
  -OEChem-03141904512D

 65 65  0     1  0  0  0  0  0999 V2000
   12.8344    7.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2991    5.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.2906    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -2.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1402    6.8784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8312    7.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5222    6.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312    7.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0912    6.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.7094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2372    6.2660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4376    7.9583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7664    8.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9558    7.1305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2122    6.3414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    8.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2247    7.9583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5432    4.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    5.3982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    5.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546    4.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    3.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    3.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4240    7.0469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -3.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -4.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -4.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -3.6018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -5.7920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -5.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -5.0894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -1.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -0.6018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    2.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6550    0.8732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.1829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 42  1  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 16  2  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 65  1  0  0  0  0
  6 28  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 21  1  0  0  0  0
  8 24  1  0  0  0  0
  8 56  1  0  0  0  0
 23  9  1  1  0  0  0
  9 63  1  0  0  0  0
  9 64  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  1  0  0  0
 10 29  1  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 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 15  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 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 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
 19 45  1  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
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 26  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 28  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 27  1  0  0  0  0
 25 57  1  0  0  0  0
 25 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
M  END

$$$$
D05PCM
  -OEChem-04152111292D

 43 45  0     1  0  0  0  0  0999 V2000
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 22 43  1  0  0  0  0
M  END

$$$$
D05PFS
  -OEChem-03141904512D

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 26 55  1  0  0  0  0
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M  END

$$$$
D05PIX
          08050900322D 1   1.00000     0.00000     0

 24 26  0     0  0            999 V2000
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 13 24  2  0     0  0
M  END

$$$$
D05PWX
  -OEChem-04152111232D

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 33 34  2  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
M  END

$$$$
D05PZB
  -OEChem-04152109522D

 51 55  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D05PZN
  -OEChem-04152110082D

 74 77  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05QHU
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 27 30  0     1  0            999 V2000
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 24 25  1  0     0  0
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M  END

$$$$
D05QIS
  -OEChem-02041521022D

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M  END

$$$$
D05QIU
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 38 41  0     1  0            999 V2000
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 37 30  1  0     0  0
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 30 14  1  0     0  0
 17 19  1  0     0  0
 22 28  1  0     0  0
M  END

$$$$
D05QJT
  -OEChem-10101305032D

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  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
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  4 24  1  0  0  0  0
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 13 14  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

$$$$
D05QKO
          01280517572D 1   1.00000     0.00000     0

138142  0     1  0            999 V2000
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   16.8042   -4.3417    0.0000 C   0  0  0  0  0  0           0  0  0
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106 80  1  0     0  0
 54107  1  6     0  0
 56108  1  6     0  0
109124  1  0     0  0
110126  1  0     0  0
111 77  1  0     0  0
112 78  1  0     0  0
113 91  1  0     0  0
 82114  1  1     0  0
115 88  1  0     0  0
116 89  1  0     0  0
117 89  1  0     0  0
118 90  1  0     0  0
119 90  1  0     0  0
120 88  1  0     0  0
 91121  1  1     0  0
122 95  2  0     0  0
123 95  1  0     0  0
124107  1  0     0  0
125105  1  0     0  0
126125  1  0     0  0
127106  1  0     0  0
128106  1  0     0  0
129113  1  0     0  0
130122  1  0     0  0
131123  2  0     0  0
132131  1  0     0  0
  7133  1  6     0  0
 22134  1  1     0  0
 35135  1  1     0  0
 29136  1  1     0  0
 23137  1  1     0  0
  6138  1  6     0  0
103 99  1  0     0  0
101104  1  0     0  0
132130  2  0     0  0
 57 55  1  0     0  0
102 87  1  0     0  0
M  END

$$$$
D05QUL
  -OEChem-02031521032D

 17 17  0     0  0  0  0  0  0999 V2000
    2.0000   -1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    2.8807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8144    1.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    1.9672    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.9633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.2730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.8807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.8807    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
  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
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  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
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  CHG  2   2  -1   8   1
M  END

$$$$
D05REB
  -OEChem-04152110172D

 52 55  0     1  0  0  0  0  0999 V2000
    3.9732   -2.9703    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8368   -1.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3192   -3.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155    0.1863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9812    0.4036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.1522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2332    2.1181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4966    3.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2460    0.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    1.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243    0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0232    0.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    3.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6967   -0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9891    0.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005   -0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4966    4.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1638   -1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1979   -1.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121   -3.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9391   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6462   -3.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0604   -4.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4532    2.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8615   -0.1288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6870   -0.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949    2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5856    1.8908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0502    2.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3766    3.9668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2147   -1.0943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712    0.7562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8286    0.1292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5880    0.5676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1496    1.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7232   -1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0335    4.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8066    5.3697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9596    5.1428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0215   -0.3603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7595   -1.3072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857   -4.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9973   -1.3362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4615   -4.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8999   -5.4317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6593   -4.9933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 20  2  0  0  0  0
  3 24  1  0  0  0  0
  3 49  1  0  0  0  0
  4 26  1  0  0  0  0
  4 29  1  0  0  0  0
  7  5  1  1  0  0  0
  5 22  2  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  6 38  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  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  6  0  0  0
  9 16  2  0  0  0  0
 10 14  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 13  2  0  0  0  0
 12 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 21  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 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
 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
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 47  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 48  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

$$$$
D05RGV
  -OEChem-04152111272D

 41 41  0     1  0  0  0  0  0999 V2000
    2.5369    1.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    3.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    3.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.8730    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5369   -1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    1.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.7346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    3.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    4.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720    4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    4.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    1.7240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720    2.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -3.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   -2.8361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  6  0  0  0
  1 36  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 20  1  0  0  0  0
 14  3  1  6  0  0  0
  3 40  1  0  0  0  0
  3 41  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 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  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
  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 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  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 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  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
M  END

$$$$
D05RJP
  -OEChem-04152110462D

580604  0     1  0  0  0  0  0999 V2000
   29.9895   -3.7367    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   39.0939   -6.9070    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.0538    1.8536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   35.1213   -6.0319    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.9424    5.6421    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.7815   -3.4960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.5266    8.2912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.4152   12.0796    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   42.8350   -6.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.9995   14.7287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   46.8822   -7.3468    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   54.4183   -9.3614    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8881   18.5172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   50.4457   -8.4862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   57.7581  -11.8972    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3217   17.9968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   58.1083  -16.0760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.2475   -3.0663    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   39.6803   -7.7171    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   29.0591    1.7508    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   34.9117   -7.0097    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   25.3532    4.8341    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   32.3679   -4.3060    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   23.5319    8.1884    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   19.8261   11.2716    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   42.9412   -5.9431    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   18.0048   14.6259    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   47.6922   -6.7604    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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347526  1  0  0  0  0
348358  1  0  0  0  0
348528  1  0  0  0  0
353360  1  0  0  0  0
353531  1  0  0  0  0
354362  1  0  0  0  0
354533  1  0  0  0  0
355363  1  0  0  0  0
355534  1  0  0  0  0
356535  1  0  0  0  0
361371  2  0  0  0  0
361537  1  0  0  0  0
364538  1  0  0  0  0
364539  1  0  0  0  0
364540  1  0  0  0  0
365369  1  0  0  0  0
365541  1  0  0  0  0
367372  2  0  0  0  0
367542  1  0  0  0  0
370545  1  0  0  0  0
371373  1  0  0  0  0
371375  1  0  0  0  0
372374  1  0  0  0  0
372376  1  0  0  0  0
375573  1  0  0  0  0
375574  1  0  0  0  0
375575  1  0  0  0  0
376576  1  0  0  0  0
376577  1  0  0  0  0
376578  1  0  0  0  0
M  CHG  8  35   1  36   1  37   1  38   1  39   1  40   1  41   1  42   1
M  CHG  8  43   1  44   1  45   1  46   1  47   1  48   1  49   1  50   1
M  CHG  8  51   1 102  -1 103  -1 104  -1 105  -1 107  -1 108  -1 110  -1
M  CHG  8 111  -1 112  -1 113  -1 115  -1 116  -1 117  -1 118  -1 120  -1
M  CHG  2 123  -1 135  -1
M  END

$$$$
D05RRA
          10270900052D 1   1.00000     0.00000     0

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  3  1  2  0     0  0
  5  2  2  0     0  0
  6  4  2  0     0  0
  7  1  1  0     0  0
  8 15  1  1     0  0
  9  1  1  0     0  0
 10  2  1  0     0  0
 11  8  1  0     0  0
 12  4  1  0     0  0
 13  4  1  0     0  0
 14  7  1  0     0  0
 15 17  1  0     0  0
 16 13  1  0     0  0
 17 14  1  0     0  0
 18 16  1  0     0  0
M  END

$$$$
D05RSC
  -OEChem-10101305022D

 26 28  0     1  0  0  0  0  0999 V2000
    7.9846   -1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9846    0.4330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.9846    0.4330    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.4846    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4458    0.9330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4375    0.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968   -0.3760    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 15  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  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  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 16  1  6  0  0  0
  7 10  1  0  0  0  0
  7 17  1  6  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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
M  END

$$$$
D05RVA
  -OEChem-04152111232D

 33 35  0     0  0  0  0  0  0999 V2000
    7.3967    2.4126    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -0.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2320    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.0352    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  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  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 13  2  0  0  0  0
  5 18  1  0  0  0  0
  6 19  2  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 23  1  0  0  0  0
  8 24  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 17  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
 15 20  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 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
 20 33  1  0  0  0  0
M  END

$$$$
D05RZE
  -OEChem-04152111182D

 69 74  0     1  0  0  0  0  0999 V2000
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   13.7544   -0.5769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 60  1  0  0  0  0
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 36 65  1  0  0  0  0
 37 66  1  0  0  0  0
 38 39  1  0  0  0  0
 38 67  1  0  0  0  0
M  END

$$$$
D05RZW
          01220518072D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
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    3.9125   -2.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3667   -2.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3667   -1.7125    0.0000 C   0  0  3  0  0  0           0  0  0
    4.5292   -3.4792    0.0000 O   0  5  0  0  0  0           0  0  0
    3.2917   -3.4792    0.0000 O   0  5  0  0  0  0           0  0  0
    2.6792   -2.4167    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5250   -1.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9125   -1.7125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1417   -4.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3667   -3.8375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9792   -1.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9792   -2.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7542   -4.9000    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3667   -4.5417    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  1  1  0     0  0
  5  9  1  0     0  0
  6  3  1  0     0  0
  7  3  2  0     0  0
  8 11  1  0     0  0
  9  6  2  0     0  0
 10  1  1  0     0  0
 11 10  1  0     0  0
 12  2  1  0     0  0
 13  5  1  0     0  0
 14  5  2  0     0  0
 15  7  1  0     0  0
 16 15  2  0     0  0
 17  2  2  0     0  0
 18  4  2  0     0  0
 19 11  1  0     0  0
 20 11  1  0     0  0
 21 22  2  0     0  0
 22 18  1  0     0  0
  8  7  1  0     0  0
 17 21  1  0     0  0
 16  9  1  0     0  0
M  CHG  4   2   1   5   1  12  -1  13  -1
M  END

$$$$
D05SSC
  -OEChem-10101305032D

 62 63  0     0  0  0  0  0  0999 V2000
    8.5000    0.1340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.7320    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
    3.0000   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7321    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
    7.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766   -1.3397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781   -0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219   -0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5234   -1.3397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    0.3460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    0.7446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781   -2.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766   -2.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5234   -2.1244    0.0000 H   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
    2.8800    0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015   -3.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985   -3.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    1.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    1.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -1.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -0.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3520    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
    1.3800    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8800    1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900    3.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100    3.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3800   -0.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -1.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6200   -0.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -0.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9631   -1.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1900   -2.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0369   -1.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 24  1  0  0  0  0
  2 13  2  0  0  0  0
  3 24  2  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  4 45  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 13  1  0  0  0  0
  6 10  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 28  1  0  0  0  0
  7 29  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 12  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 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  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
 14 17  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 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 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
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 52  1  0  0  0  0
 21 23  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  2  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  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 56  1  0  0  0  0
 26 57  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
 27 62  1  0  0  0  0
M  END

$$$$
D05STL
  -OEChem-04152111332D

 58 61  0     1  0  0  0  0  0999 V2000
    6.3301    4.9177    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -7.0823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    2.8831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    6.4623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9388    6.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    4.9524    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7282    4.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7282    3.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    2.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3561    5.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391    4.3325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373    5.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373    2.8132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391    3.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6636    7.0823    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 34  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 18  1  0  0  0  0
  4 23  1  0  0  0  0
  5 16  1  0  0  0  0
  5 47  1  0  0  0  0
  6 16  2  0  0  0  0
  7 25  1  0  0  0  0
  7 35  1  0  0  0  0
  8 28  2  0  0  0  0
  9 21  1  0  0  0  0
  9 28  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  1  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 14  1  0  0  0  0
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 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  1  0  0  0  0
 15 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  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
 22 25  2  0  0  0  0
 22 29  1  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 30  2  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 30  1  0  0  0  0
 26 49  1  0  0  0  0
 27 31  2  0  0  0  0
 27 50  1  0  0  0  0
 29 33  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
 32 34  2  0  0  0  0
 32 54  1  0  0  0  0
 33 34  1  0  0  0  0
 33 55  1  0  0  0  0
 35 56  1  0  0  0  0
 35 57  1  0  0  0  0
 35 58  1  0  0  0  0
M  END

$$$$
D05STQ
  -OEChem-06062108512D

 38 41  0     1  0  0  0  0  0999 V2000
    4.7320    2.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9560   -0.2776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3198    0.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3664   -2.7398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2027   -1.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481   -1.3123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
M  END

$$$$
D05TIS
  -OEChem-10121500262D

 29 29  0     1  0  0  0  0  0999 V2000
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 11  3  1  1  0  0  0
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 12  4  1  6  0  0  0
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 14  5  1  1  0  0  0
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 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D05TKB
  -OEChem-10101305022D

121128  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05TKW
  -OEChem-10191521152D

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M  END

$$$$
D05TLP
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 10  9  2  0     0  0
 11  8  1  0     0  0
 12 10  1  0     0  0
 13  8  2  0     0  0
 14  7  1  0     0  0
 15 10  1  0     0  0
 16 12  2  0     0  0
 17 11  2  0     0  0
 18 11  1  0     0  0
  4 19  1  1     0  0
 20 22  1  0     0  0
 21 17  1  0     0  0
 22 18  2  0     0  0
 23 20  1  0     0  0
 24  5  1  0     0  0
 25  5  1  0     0  0
 26 12  1  0     0  0
  7  6  1  0     0  0
 15 14  2  0     0  0
 21 20  2  0     0  0
M  END

$$$$
D05TOJ
          03111001062D 1   1.00000     0.00000     0

 22 21  0     0  0            999 V2000
    8.7417   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3625   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8917   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1292   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5042   -2.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2792   -2.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3625   -3.3125    0.0000 O   0  0  0  0  0  0           0  0  0
    5.6625   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1917   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7292   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3417   -2.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8125   -2.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9750   -2.2417    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9667   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4292   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0417   -2.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5792   -2.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1292   -3.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1167   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7375   -3.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2042   -3.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6625   -3.3167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  5  2  0     0  0
  4  1  2  0     0  0
  5  4  1  0     0  0
  6  3  1  0     0  0
  7  2  2  0     0  0
  8  6  2  0     0  0
  9 12  2  0     0  0
 10 11  2  0     0  0
 11 14  1  0     0  0
 12 15  1  0     0  0
 13  2  1  0     0  0
 14 17  1  0     0  0
 15 16  1  0     0  0
 16  8  1  0     0  0
 17  9  1  0     0  0
 18  4  1  0     0  0
 19 10  1  0     0  0
 20 10  1  0     0  0
 21  9  1  0     0  0
 22  8  1  0     0  0
M  END

$$$$
D05TPI
  -OEChem-10101305022D

 35 37  0     1  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
   10.3972    0.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2296    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -0.2296    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -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
    8.6270   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -2.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -2.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    0.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -1.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1488   -3.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353   -0.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    3.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 28  1  0  0  0  0
  3 13  1  0  0  0  0
  3 32  1  0  0  0  0
  4 18  1  0  0  0  0
  4 33  1  0  0  0  0
  5 19  1  0  0  0  0
  5 34  1  0  0  0  0
  6 21  1  0  0  0  0
  6 35  1  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
  8 12  1  0  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 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  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
 16 20  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D05TSJ
  -OEChem-10191523092D

 58 62  0     0  0  0  0  0  0999 V2000
   12.8343    2.7520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5416    3.8282    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993   -3.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -2.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    0.6719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6096   -0.6329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    1.1718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653    1.1718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857    1.0786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    0.3354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -3.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653   -3.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6096    0.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9313    0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8988    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2094    3.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993    0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1879    3.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5451    1.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0948   -0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8558    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1166   -0.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099   -1.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0094   -2.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4079   -1.7205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4638   -1.3532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6668   -1.3532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5419   -3.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8997    2.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3064    2.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932   -0.4481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8132    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932    0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653    1.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3740    0.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3805    3.8794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9592    1.1338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5555   -0.7375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4577   -2.0105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2763   -1.6963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 25  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  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  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  6 15  2  0  0  0  0
  6 20  1  0  0  0  0
  7 22  2  0  0  0  0
  8 22  1  0  0  0  0
  8 27  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  2  0  0  0  0
 10 32  1  0  0  0  0
 10 55  1  0  0  0  0
 11 14  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 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 17  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 16 42  1  0  0  0  0
 16 43  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 22  1  0  0  0  0
 19 44  1  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  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 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 51  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 52  1  0  0  0  0
 29 31  1  0  0  0  0
 29 53  1  0  0  0  0
 30 32  2  0  0  0  0
 30 54  1  0  0  0  0
 32 33  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

$$$$
D05UFP
  -OEChem-10101305032D

289308  0     1  0  0  0  0  0999 V2000
    8.6518    3.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6345   11.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0495   -7.4315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5318    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7134  -11.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5221   10.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8970   -8.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9241   -9.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    3.8510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0193   14.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3280   -9.4574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3226  -13.4079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1830    3.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0256    9.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9005   -6.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3153   -9.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694   -3.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6728   16.4811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4656  -16.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3509  -10.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3978    0.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3882    8.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8970   -7.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1920   -9.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9959    2.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6561   -6.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9241    7.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3260   -5.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7279    1.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6561   -4.3619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9241    5.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05UGH
  -OEChem-03141904512D

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 20 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D05UYQ
  -OEChem-10111523052D

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

$$$$
D05VNP
  -OEChem-02041521322D

 79 83  0     1  0  0  0  0  0999 V2000
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   13.2667    4.2557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 70  1  0  0  0  0
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 33 77  1  0  0  0  0
 33 78  1  0  0  0  0
 33 79  1  0  0  0  0
M  END

$$$$
D05VTE
          01071100412D 1   1.00000     0.00000     0

 38 40  0     0  0            999 V2000
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   10.1706   -6.4795    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4091   -6.4857    0.0000 N   0  0  0  0  0  0           0  0  0
   10.7882   -7.5632    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1782   -5.7594    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4236   -5.7697    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.7950   -5.3994    0.0000 N   0  0  0  0  0  0           0  0  0
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   12.0432   -5.4055    0.0000 O   0  0  0  0  0  0           0  0  0
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  1  2  2  0     0  0
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  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
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  5  9  2  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  6  9  1  0     0  0
 12 13  1  0     0  0
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 12 15  2  0     0  0
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 13 17  2  0     0  0
 14 18  2  0     0  0
 14 19  1  0     0  0
 15 20  1  0     0  0
 15 21  1  0     0  0
 16 22  2  0     0  0
 16 23  1  0     0  0
 18 24  1  0     0  0
 22 25  1  0     0  0
 23 26  2  0     0  0
 24 27  1  0     0  0
 25 28  2  0     0  0
 27 29  1  0     0  0
 28 30  1  0     0  0
 29 31  1  0     0  0
 29 32  1  0     0  0
 31 33  2  0     0  0
 31 34  1  0     0  0
 32 35  2  0     0  0
 33 36  1  0     0  0
 36 37  1  0     0  0
 36 38  2  0     0  0
 20 24  2  0     0  0
 26 28  1  0     0  0
 33 35  1  0     0  0
M  END

$$$$
D05VTN
          05111000182D 1   1.00000     0.00000     0

 32 36  0     0  0            999 V2000
    5.2409   -5.9485    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8341   -5.2266    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5290   -4.5423    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7416   -4.7844    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.5069   -5.8735    0.0000 N   0  0  0  0  0  0           0  0  0
    4.0039   -5.2160    0.0000 N   0  0  3  0  0  0           0  0  0
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    4.8290   -6.6624    0.0000 O   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  4  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  7  6  2  0     0  0
  8  7  1  0     0  0
  8  3  2  0     0  0
 10  9  1  0     0  0
 11  9  2  0     0  0
 10  3  1  0     0  0
 11  4  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 12  1  0     0  0
 11 12  1  0     0  0
  2 10  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
 24 23  1  0     0  0
 25 24  2  0     0  0
 26 25  1  0     0  0
 27 26  2  0     0  0
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 29 30  1  0     0  0
 25 29  1  0     0  0
 26 31  1  0     0  0
 20 23  1  0     0  0
  1 17  1  0     0  0
  1 32  2  0     0  0
M  END

$$$$
D05VVX
  -OEChem-04152108402D

 52 56  0     1  0  0  0  0  0999 V2000
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  1 21  1  0  0  0  0
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 17 21  2  0  0  0  0
 17 39  1  0  0  0  0
 18 22  2  0  0  0  0
 18 40  1  0  0  0  0
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 20 24  2  0  0  0  0
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 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  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
 27 46  1  0  0  0  0
 28 31  2  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  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 32  1  0  0  0  0
 31 52  1  0  0  0  0
M  END

$$$$
D05VZE
  -OEChem-10121500342D

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

$$$$
D05WCI
  -OEChem-10111523112D

 69 73  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05WDG
  -OEChem-03141904542D

237247  0     1  0  0  0  0  0999 V2000
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105232  1  0  0  0  0
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105234  1  0  0  0  0
M  END

$$$$
D05WSP
  -OEChem-10121501582D

 38 38  0     1  0  0  0  0  0999 V2000
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 17 35  1  0  0  0  0
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 17 37  1  0  0  0  0
M  END

$$$$
D05WUQ
  -OEChem-04152110402D

 61 67  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05WWJ
  -OEChem-10191522562D

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 29 53  1  0  0  0  0
M  END

$$$$
D05XJW
  -OEChem-10111523492D

 86 92  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05XLO
  -OEChem-04152108402D

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M  END

$$$$
D05XTQ
  SciTegic11301210262D

198207  0  0  1  0            999 V2000
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 65103  1  0
134149  1  0
M  END

$$$$
D05XUY
  -OEChem-10101305032D

 43 39  0     0  0  0  0  0  0999 V2000
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 19 40  1  0  0  0  0
M  END

$$$$
D05YTG
  -OEChem-04152110402D

 65 69  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D05YWJ
  -OEChem-03141904522D

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M  END

$$$$
D05ZDJ
          06200800222D 1   1.00000     0.00000     0

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    0.6675   -0.0861    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6678    0.5306    0.0000 S   0  0  0  0  0  0           0  0  0
    1.2008    0.8387    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0666   -1.3542    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.5334   -1.3542    0.0000 H   0  0  0  0  0  0           0  0  0
 18 19  1  0     0  0
 19 21  1  0     0  0
 21 20  2  0     0  0
 19 22  1  6     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 24 26  1  0     0  0
  4 51  1  0     0  0
 12 18  1  0     0  0
 21 35  1  0     0  0
 38 27  1  0     0  0
 30 43  1  0     0  0
 46  1  1  0     0  0
 27 28  1  0     0  0
 28 30  1  6     0  0
 30 29  2  0     0  0
 28 31  1  0     0  0
 31 32  1  1     0  0
 31 33  1  0     0  0
 33 34  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 15 17  1  0     0  0
  9 10  1  0     0  0
 10 12  1  0     0  0
 12 11  2  0     0  0
 10 13  1  1     0  0
 13 14  1  0     0  0
 38 37  2  0     0  0
 36 39  1  0     0  0
 39 40  1  6     0  0
 39 41  1  0     0  0
 41 42  1  0     0  0
 35 36  1  0     0  0
 36 38  1  1     0  0
  1  2  1  0     0  0
  2  4  1  0     0  0
  4  3  2  0     0  0
  2  5  1  6     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  6  8  1  0     0  0
 43 44  1  0     0  0
 44 46  1  0     0  0
 46 45  2  0     0  0
 44 47  1  1     0  0
 47 48  1  0     0  0
 48 49  1  0     0  0
 49 50  1  0     0  0
  9 52  1  0     0  0
M  STY  8   1 SUP   2 SUP   3 SUP   4 SUP   5 SUP   6 SUP   7 SUP   8 SUP
M  SLB  8   1   1   2   2   3   4   4   5   5   6   6   7   7   8   8   9
M  SAL   1  9  18  19  20  21  22  23  24  25  26
M  SBL   1  2  10  11
M  SMT   1 Glu
M  SBV   1  10   -0.2400    0.0000
M  SBV   1  11    0.2500    0.0000
M  SCL   1 AA
M  SAP   1  2  18  12 Al  21  35 Br
M  SAL   2  9   9  10  11  12  13  14  15  16  17
M  SBL   2  2  10  51
M  SMT   2 Glu
M  SBV   2  10    0.2400    0.0000
M  SCL   2 AA
M  SAP   2  2   9   0 Al  12  18 Br
M  SAL   3  8  35  36  37  38  39  40  41  42
M  SBL   3  2  11  12
M  SMT   3 Ile
M  SBV   3  11   -0.2500    0.0000
M  SBV   3  12    0.2500    0.0000
M  SCL   3 AA
M  SAP   3  2  35  21 Al  38  27 Br
M  SAL   4  8  27  28  29  30  31  32  33  34
M  SBL   4  2  12  13
M  SMT   4 Ile
M  SBV   4  12   -0.2500    0.0000
M  SBV   4  13    0.2500    0.0000
M  SCL   4 AA
M  SAP   4  2  27  38 Al  30  43 Br
M  SAL   5  8   1   2   3   4   5   6   7   8
M  SBL   5  2   9  14
M  SMT   5 Asp
M  SBV   5  14   -0.2400    0.0000
M  SBV   5   9    0.1800    0.0100
M  SCL   5 AA
M  SAP   5  2   1  46 Al   4  51 Br
M  SAL   6  8  43  44  45  46  47  48  49  50
M  SBL   6  2  13  14
M  SMT   6 Met
M  SBV   6  13   -0.2500    0.0000
M  SBV   6  14    0.2400    0.0000
M  SCL   6 AA
M  SAP   6  2  43  30 Al  46   1 Br
M  SAL   7  1  51
M  SBL   7  1   9
M  SMT   7 OH
M  SBV   7   9   -0.1800   -0.0100
M  SCL   7 LGRP
M  SAL   8  1  52
M  SBL   8  1  51
M  SMT   8 NH2
M  END

$$$$
D05ZHA
  MDL     03130713432D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
    4.8667   -2.9292    0.0000 N   0  0  3  0  0  0           0  0  0
    4.2542   -3.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8667   -2.2167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1042   -5.0542    0.0000 S   0  0  3  0  0  0           0  0  0
    4.2542   -4.0042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4542   -1.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8792   -4.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4917   -5.4167    0.0000 O   0  0  0  0  0  0           0  0  0
    4.8792   -5.0667    0.0000 N   0  0  0  0  0  0           0  0  0
    5.4917   -3.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6417   -2.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6417   -4.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4917   -3.9917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7167   -5.4042    0.0000 O   0  5  0  0  0  0           0  0  0
    6.6042   -4.5542    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7417   -4.4417    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2542   -1.8667    0.0000 O   0  0  0  0  0  0           0  0  0
    5.4792   -1.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0292   -3.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0292   -3.9917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4167   -2.9292    0.0000 Cl  0  0  0  0  0  0           0  0  0
    7.4917   -5.3792    0.0000 K   0  3  0  0  0  0           0  0  0
    6.0917   -2.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8542   -0.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0917   -0.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7042   -1.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7042   -1.1417    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  2  2  0     0  0
  6  3  1  0     0  0
  7 13  1  0     0  0
  8  9  1  0     0  0
  9  7  2  0     0  0
 10  1  1  0     0  0
 11  2  1  0     0  0
 12  5  1  0     0  0
 13 10  1  0     0  0
 14  4  1  0     0  0
 15  4  2  0     0  0
 16  4  2  0     0  0
 17  3  2  0     0  0
 18  6  2  0     0  0
 19 11  2  0     0  0
 20 19  1  0     0  0
 21 19  1  0     0  0
 23  6  1  0     0  0
 24 18  1  0     0  0
 25 18  1  0     0  0
 26 23  2  0     0  0
 27 26  1  0     0  0
  5  7  1  0     0  0
 12 20  2  0     0  0
 27 25  2  0     0  0
M  CHG  2  14  -1  22   1
M  END

$$$$
D05ZIS
  -OEChem-04152111342D

 62 67  0     0  0  0  0  0  0999 V2000
    4.5981    0.1788    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030    3.2117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.6259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -4.3212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.0165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8455   -4.6259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4597    1.9226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0206    0.8975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8455   -3.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   -3.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7916    4.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3836   -1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6393   -2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9978    3.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5403   -2.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1774   -0.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3341   -1.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5359    5.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8411    4.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2535    2.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9216    0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7154    1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2268   -0.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7649    1.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3809    4.3548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -1.8454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    3.0426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5731    3.8002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -5.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1296   -2.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7956   -1.2667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2920   -4.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500    4.7538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9974    5.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1218    5.6767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0337    5.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2518    5.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6485    4.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5110    0.0836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0491    1.7300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7654   -0.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6371    2.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 26  2  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 43  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 46  1  0  0  0  0
  5 13  2  0  0  0  0
  5 17  1  0  0  0  0
  6 11  2  0  0  0  0
  7 26  1  0  0  0  0
  7 28  1  0  0  0  0
  7 55  1  0  0  0  0
  8 30  2  0  0  0  0
  8 31  1  0  0  0  0
  9 32  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 15 23  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 30  1  0  0  0  0
 19 26  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  2  0  0  0  0
 20 44  1  0  0  0  0
 21 27  2  0  0  0  0
 21 32  1  0  0  0  0
 22 29  1  0  0  0  0
 22 31  2  0  0  0  0
 23 45  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
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 33  2  0  0  0  0
 29 34  2  0  0  0  0
 29 35  1  0  0  0  0
 30 54  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
 34 36  1  0  0  0  0
 34 59  1  0  0  0  0
 35 37  2  0  0  0  0
 35 60  1  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
 37 61  1  0  0  0  0
 38 62  1  0  0  0  0
M  END

$$$$
D05ZWG
  -OEChem-10111523402D

114115  0     1  0  0  0  0  0999 V2000
    3.4030    5.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -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
   14.6613   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.2500    0.0000 N   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
    8.5991   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.7500    0.0000 C   0  0  1  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
   10.3312   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972   -2.7500    0.0000 C   0  0  2  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
   11.1972   -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
    6.0010    3.2500    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
    8.5991    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05ZXZ
  -OEChem-10101305032D

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M  END

$$$$
D06BGZ
  -OEChem-03141904472D

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M  END

$$$$
D06BHG
  -OEChem-04152122292D

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M  END

$$$$
D06BUA
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 15  2  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 18 14  1  0     0  0
 19 14  1  0     0  0
 20 10  1  0     0  0
 21 10  1  0     0  0
 22 11  1  0     0  0
 23 12  1  0     0  0
 24 13  1  0     0  0
 25 18  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 25  1  0     0  0
 29 26  1  0     0  0
  3  5  1  0     0  0
M  END

$$$$
D06CCR
  -OEChem-04152110332D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0280    2.4571    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -2.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -2.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    3.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7601   -0.5429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9511   -1.1307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2601   -2.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8479   -2.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477   -1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -0.2614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5126   -1.5691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724   -1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2906   -3.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0188   -3.4867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245   -3.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068   -3.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
 12  2  1  6  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
 10  4  1  1  0  0  0
  4 25  1  0  0  0  0
  5 14  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  2  0  0  0  0
  7 18  2  0  0  0  0
 11  8  1  6  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 15  1  0  0  0  0
  9 18  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  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
 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
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
M  END

$$$$
D06CIJ
  -OEChem-10101305032D

 37 39  0     0  0  0  0  0  0999 V2000
    5.9209    3.6563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.9505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996   -3.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394   -2.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384   -3.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458   -2.4271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1321   -2.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5288   -2.2025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7468   -1.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103   -3.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4922   -4.2456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8889   -3.4637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491   -3.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -3.6058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.4212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    2.0893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    2.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4 11  2  0  0  0  0
  4 18  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  2  0  0  0  0
  6 15  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  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
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  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 22  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
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  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
 18 33  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 37  1  0  0  0  0
M  END

$$$$
D06CIR
  -OEChem-10101305022D

697700  0     1  0  0  0  0  0999 V2000
   42.6069  -28.2017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.3183   20.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0614   19.9401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4606   21.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7601   17.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5946   25.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6261   13.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3267   22.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2601   16.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   49.0473  -29.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0902   12.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0587   24.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.8030  -29.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   52.6437  -30.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2242    9.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7908   22.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.3389  -28.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4921    8.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6261    9.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.2049  -30.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.3389  -29.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5228   21.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1927   26.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9247   26.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.8300  -33.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5228   24.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6883    8.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.5947  -30.3227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   52.5243  -33.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.2049  -24.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9562    5.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5543   10.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.9127  -32.8970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2549   22.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8222    4.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.7408  -23.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   56.6558  -32.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2594   29.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.6069  -20.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2863    3.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5543    0.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0184    4.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8574   33.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1524    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1254   33.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.1428  -19.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0088  -24.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5273   31.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.1428  -23.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4203    0.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3933   27.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0088  -15.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7953   29.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8844   -0.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4107  -20.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5447  -18.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5447  -14.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9292   33.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6613   33.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0184   -4.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0632   31.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6786  -14.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4825   -5.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3312   29.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6165   -8.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2146  -13.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0806   -9.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1972   33.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0806   -8.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0806  -15.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2146  -14.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5991   31.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671   29.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   31.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   27.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   27.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   32.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   30.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   29.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6241   20.9693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4921   17.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9024   18.6529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5946   23.4638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4921   15.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3267   23.9638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3581   12.7983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   49.5826  -28.1085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2600   14.4323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0587   23.4638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.9370  -27.7017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   50.9495  -30.3738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0902   10.7983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6883   14.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9247   19.4638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7908   23.9638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.2049  -26.7017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.0595  -31.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9562    8.2982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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344347  1  0  0  0  0
344692  1  0  0  0  0
346693  1  0  0  0  0
346694  1  0  0  0  0
M  END

$$$$
D06CKX
  -OEChem-10121500242D

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 18 21  1  0  0  0  0
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 19 23  1  0  0  0  0
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 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 24  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  2  0  0  0  0
 23 47  1  0  0  0  0
 24 30  2  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
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 26 32  1  0  0  0  0
 26 51  1  0  0  0  0
 27 33  2  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
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 34  2  0  0  0  0
 32 57  1  0  0  0  0
 33 34  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D06CVN
  -OEChem-10101305022D

334345  0     1  0  0  0  0  0999 V2000
    8.3662   -1.1388    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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172330  1  0  0  0  0
173174  2  0  0  0  0
174331  1  0  0  0  0
175176  1  0  0  0  0
175177  1  0  0  0  0
M  END

$$$$
D06DHB
  -OEChem-10101305022D

 45 49  0     0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 39  1  0  0  0  0
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 10 32  1  0  0  0  0
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 23 42  1  0  0  0  0
 24 26  2  0  0  0  0
 24 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D06DMQ
  -OEChem-04152111262D

 58 61  0     0  0  0  0  0  0999 V2000
    8.5991   -4.7487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -1.2487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
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 28 31  1  0  0  0  0
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 29 32  2  0  0  0  0
 29 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 52  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

$$$$
D06EDP
  -OEChem-04152111212D

 29 30  0     0  0  0  0  0  0999 V2000
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  3 28  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
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  6 11  2  0  0  0  0
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 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  0  0  0  0
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 13 24  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

$$$$
D06EFW
  -OEChem-04152111292D

 29 30  0     0  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
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 16 27  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D06EGV
  -OEChem-04152122312D

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 40 41  1  0  0  0  0
 40 63  1  0  0  0  0
M  END

$$$$
D06EHX
  -OEChem-04152111282D

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 28 51  1  0  0  0  0
M  END

$$$$
D06EIC
  -OEChem-10191523002D

 46 50  0     1  0  0  0  0  0999 V2000
    3.9801    3.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105   -1.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5652   -2.6523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6106   -3.1721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1439    0.8889    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9801    2.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9801    0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    1.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439    1.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947   -0.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    1.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2651   -0.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9076   -1.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7944   -0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803   -2.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530   -2.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7586   -0.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5428    1.4899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4173    0.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549   -0.1515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8258    0.7970    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 40  1  0  0  0  0
  2 23  2  0  0  0  0
  3 11  1  0  0  0  0
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  3 39  1  0  0  0  0
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  7 26  1  1  0  0  0
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 10 14  1  0  0  0  0
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 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
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 12 32  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 33  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 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D06EMM
  -OEChem-04152111102D

 49 51  0     1  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 F   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
    4.5981    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    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  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
    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
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    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    3.5000    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
    5.4641   -4.0000    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   -3.5000    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
    3.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -5.5000    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
    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
    4.2690    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  1  1  0  0  0
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 13 35  1  0  0  0  0
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 16 17  1  0  0  0  0
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 23 44  1  0  0  0  0
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 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

$$$$
D06EPO
  -OEChem-10101305022D

 72 76  0     1  0  0  0  0  0999 V2000
    4.7579   -8.0944    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3611   -7.8732    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -6.6976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0592    3.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916   -3.5267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6105   -1.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8025   -3.7358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0592    7.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5592    6.3624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0358    1.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 71  1  0  0  0  0
 40 72  1  0  0  0  0
M  END

$$$$
D06ESU
  -OEChem-04152111202D

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M  END

$$$$
D06ETI
  -OEChem-10191522552D

120126  0     1  0  0  0  0  0999 V2000
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 64119  1  0  0  0  0
 65120  1  0  0  0  0
M  END

$$$$
D06EXA
  -OEChem-10111523312D

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 31 59  1  0  0  0  0
M  END

$$$$
D06FER
  -OEChem-03141904512D

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    3.6182    4.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3014    9.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9567    4.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6851    4.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933   11.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6002   10.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6976    3.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0739    6.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 51 55  2  0  0  0  0
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 52 88  1  0  0  0  0
 53 57  2  0  0  0  0
 53 89  1  0  0  0  0
 54 58  1  0  0  0  0
 54 90  1  0  0  0  0
 55 91  1  0  0  0  0
 56 92  1  0  0  0  0
 57 93  1  0  0  0  0
 58 94  1  0  0  0  0
 59 95  1  0  0  0  0
 59 96  1  0  0  0  0
 59 97  1  0  0  0  0
 60 98  1  0  0  0  0
 60 99  1  0  0  0  0
 60100  1  0  0  0  0
 61101  1  0  0  0  0
 61102  1  0  0  0  0
 61103  1  0  0  0  0
 62104  1  0  0  0  0
 62105  1  0  0  0  0
 62106  1  0  0  0  0
M  CHG  8   1   3   2  -1   3  -1   4  -1   5  -1   6  -1   7   1   8   1
M  CHG  2   9   1  11  -1
M  END

$$$$
D06FKC
          11280714502D 1   1.00000     0.00000     0

 16 18  0     0  0            999 V2000
    4.5792   -3.6292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1417   -3.8292    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.1250   -4.0167    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.0542   -3.2792    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.8042   -4.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7292   -3.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5292   -3.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2292   -4.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9042   -2.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4500   -3.2292    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  1  1  0     0  0
  6 13  1  0     0  0
  7  4  1  0     0  0
  8  2  1  0     0  0
  9  3  1  0     0  0
 10  3  1  0     0  0
 11 14  1  0     0  0
 12  9  1  0     0  0
 13 10  1  0     0  0
 14  4  2  0     0  0
 15  5  1  0     0  0
 16 15  1  0     0  0
 16  7  1  0     0  0
 11  8  2  0     0  0
  6 12  1  0     0  0
M  END

$$$$
D06FOL
  -OEChem-02041521002D

 36 36  0     0  0  0  0  0  0999 V2000
    4.0747    3.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0747    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1718    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    2.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0781    1.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    1.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    4.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    4.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0736    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6717    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4967    0.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3437    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167    1.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7088    7.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6349    7.2400    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 13  1  0  0  0  0
  2 34  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  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 27  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 11  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
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  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 29  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
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D06GNF
          01160900592D 1   1.00000     0.00000     0

 26 27  0     1  0            999 V2000
   -1.5292    0.2875    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.7042    0.2875    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.4474    1.0716    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.1167    1.5583    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.7817    1.0716    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0150   -0.3793    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3376    1.3254    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1180    2.3833    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.2201   -0.3805    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1875   -1.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5958   -1.8042    0.0000 C   0  0  2  0  0  0           0  0  0
    1.4208   -1.8068    0.0000 C   0  0  3  0  0  0           0  0  0
    1.8244   -2.5242    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6458   -2.5287    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0644   -1.8174    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6555   -1.0998    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8279   -1.0935    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1811   -2.5173    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9499    0.7726    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7349    1.0264    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3472    0.4735    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1322    0.7274    0.0000 S   0  0  0  0  0  0           0  0  0
    3.7445    0.1745    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5295    0.4283    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1418   -0.1245    0.0000 O   0  0  0  0  0  0           0  0  0
    4.7021    1.2351    0.0000 O   0  0  0  0  0  0           0  0  0
 12 13  1  0     0  0
  1  2  1  0     0  0
  1  6  1  6     0  0
  3  7  1  6     0  0
 12 17  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
  4  8  1  1     0  0
 11 18  1  6     0  0
  2  3  1  0     0  0
  7 19  1  0     0  0
  2  9  1  1     0  0
 19 20  1  0     0  0
  3  4  1  0     0  0
 20 21  1  0     0  0
  9 10  3  0     0  0
 21 22  1  0     0  0
  4  5  1  0     0  0
 22 23  1  0     0  0
 10 11  1  0     0  0
 23 24  1  0     0  0
  5  1  1  0     0  0
 24 25  1  0     0  0
 11 12  1  0     0  0
 24 26  2  0     0  0
M  END

$$$$
D06GRK
  -OEChem-10101305032D

 47 48  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
    2.8660   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0622    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 C   0  0  3  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
    4.5981   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3100    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
    4.5981   -2.1900    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
    6.3301    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
    7.1962   -2.6900    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
    6.3301    1.8100    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
    4.5981    1.8100    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
    3.7320   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1900    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
    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2002   -0.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842   -1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 22  1  0  0  0  0
  2 20  1  0  0  0  0
  2 28  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 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 30  1  0  0  0  0
  8 21  1  0  0  0  0
  9 25  3  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 29  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 25  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 23  2  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
 21 24  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  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 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
 27 42  1  0  0  0  0
 27 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  CHG  2   5  -1   8   1
M  END

$$$$
D06GUA
  -OEChem-04152111222D

 61 66  0     0  0  0  0  0  0999 V2000
    4.6551    0.1489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5965    4.6496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    2.8225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    0.1489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.2436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752   -5.9107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.4389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6020    4.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1843    3.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    3.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7776    2.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033    5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    1.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    6.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9978    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -5.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640   -6.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6452    5.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    4.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6983    3.4939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150    4.2866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813    3.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7646    3.1855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7343    2.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2554    6.1296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8623    2.2557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    1.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9171    6.7366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0510    6.8738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    6.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0626    5.0511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6144    5.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9330    6.2843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    1.6016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.6289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -1.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -3.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0757   -4.9781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6612   -6.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3740   -6.5507    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  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  2  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 56  1  0  0  0  0
  6 27  1  0  0  0  0
  6 33  1  0  0  0  0
  6 59  1  0  0  0  0
  7 28  2  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  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 38  1  0  0  0  0
 10 39  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
 12 15  1  0  0  0  0
 12 42  1  0  0  0  0
 13 16  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 17  2  0  0  0  0
 17 51  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 23  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 52  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 29  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 28 54  1  0  0  0  0
 29 32  2  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 32  1  0  0  0  0
 31 58  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D06HBT
  -OEChem-04152122302D

210209  0     1  0  0  0  0  0999 V2000
   15.1972    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7286   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4651    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9965   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2645   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5324   -2.2500    0.0000 O   0  0  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
    4.2690    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9292    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1972    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9965   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D06HCC
  -OEChem-10121500122D

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M  END

$$$$
D06HCF
  -OEChem-04152111022D

 61 63  0     1  0  0  0  0  0999 V2000
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 23 48  1  0  0  0  0
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 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
M  END

$$$$
D06HFI
          01141101242D 1   1.00000     0.00000     0

 19 18  0     1  0            999 V2000
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  2  3  1  0     0  0
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  1  5  1  0     0  0
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 10  5  1  0     0  0
  1  2  1  0     0  0
 11 12  1  0     0  0
 13 15  2  0     0  0
 12 13  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 13 14  1  0     0  0
 18 19  1  0     0  0
 12 16  1  1     0  0
M  END

$$$$
D06HMN
  -OEChem-03141904482D

 46 48  0     1  0  0  0  0  0999 V2000
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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
M  END

$$$$
D06HQM
  -OEChem-04152111292D

 43 42  0     1  0  0  0  0  0999 V2000
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    8.5663    1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1596    1.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    3.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812    3.9619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5819    3.2447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -1.6353    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
  2 18  2  0  0  0  0
  3 21  1  0  0  0  0
  4 21  2  0  0  0  0
  5 25  1  0  0  0  0
  6 25  2  0  0  0  0
 11  7  1  1  0  0  0
  7 18  1  0  0  0  0
  7 29  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 35  1  0  0  0  0
 19  9  1  1  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 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 21  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 22  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 25  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  1  0  0  0  0
 20 37  1  0  0  0  0
 22 24  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
M  CHG  4   1   1   3  -1   5  -1  43   1
M  END

$$$$
D06HYF
  -OEChem-03141904462D

 50 53  0     1  0  0  0  0  0999 V2000
    6.0151   -4.8323    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6132   -4.3323    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2472   -4.6983    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2472   -2.9662    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724    4.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0151    1.1677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1491    2.6677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    4.2123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0060   -1.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7131   -0.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9719   -1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8811   -0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0151   -1.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8811   -2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1491    0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1491   -2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8811   -3.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    1.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1491   -3.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0151   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    2.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891    2.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0151    2.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    2.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007    3.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3120   -0.4130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4071   -1.9587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1664   -2.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5526    0.0254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1324   -2.1383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5708   -1.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2796    0.1427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826    0.1427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4782   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6121   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181   -2.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6121   -2.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6121   -3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963    0.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5520    2.4777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9473    0.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9473    2.5006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476    4.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  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 31  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
 15  7  1  6  0  0  0
  7 18  1  0  0  0  0
  7 41  1  0  0  0  0
  8 18  2  0  0  0  0
  8 28  1  0  0  0  0
  9 24  1  0  0  0  0
  9 28  2  0  0  0  0
 10 31  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  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 13  1  0  0  0  0
 12 32  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 15  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 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 43  1  0  0  0  0
 20 23  2  0  0  0  0
 20 25  1  0  0  0  0
 21 24  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 24 27  1  0  0  0  0
 26 29  2  0  0  0  0
 26 45  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  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
 30 48  1  0  0  0  0
M  END

$$$$
D06HZA
  -OEChem-04152111202D

 52 56  0     0  0  0  0  0  0999 V2000
    5.9227   -2.7795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4526    4.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907   -2.7795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4526    2.7205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9227    2.2205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689    1.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689    3.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -3.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247   -2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9318   -3.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9526    3.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8186    3.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8186    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -4.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0567   -2.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9526    3.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0567   -1.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9227   -0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907   -0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4526    2.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0567    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9227    0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0567    1.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9227    3.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    2.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0567    3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    3.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -1.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6259   -2.3602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -4.3443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7921    4.1854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6065    2.5039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292    2.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292    4.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6065    4.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082   -4.2921    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 17  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 21  1  0  0  0  0
  4 45  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 21  2  0  0  0  0
  7 21  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  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
  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 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  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
 14 41  1  0  0  0  0
 15 42  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
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 46  1  0  0  0  0
 20 24  2  0  0  0  0
 20 47  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  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
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  2  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END

$$$$
D06ICW
  -OEChem-04152109132D

 35 36  0     1  0  0  0  0  0999 V2000
    9.0084    0.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.1147    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    0.1900    0.0000 C   0  0  3  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
    2.8660    0.1900    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
    4.5981   -0.8100    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
    2.0000    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
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1900    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
    7.1962   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.1650    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
    2.8660    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2269    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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    2.2460   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0529   -0.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0529    0.1047    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 14  1  0  0  0  0
  2 16  1  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  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  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  9  2  0  0  0  0
  7 12  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 13  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
 12 15  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  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
M  END

$$$$
D06IFR
  SciTegic02011310442D

 22 24  0  0  0  0            999 V2000
   15.9185   -1.3497    0.0000 C   0  0
   15.9173   -2.1775    0.0000 C   0  0
   16.6326   -2.5906    0.0000 N   0  0
   17.3493   -2.1770    0.0000 C   0  0
   17.3464   -1.3461    0.0000 C   0  0
   16.6308   -0.9368    0.0000 C   0  0
   18.0363   -2.6266    0.0000 C   0  0
   18.0771   -3.4510    0.0000 N   0  0
   18.8738   -3.6669    0.0000 O   0  0
   19.3253   -2.9758    0.0000 C   0  0
   18.8076   -2.3330    0.0000 N   0  0
   20.1456   -2.9362    0.0000 C   0  0
   20.5926   -3.6314    0.0000 C   0  0
   21.4163   -3.5909    0.0000 C   0  0
   21.7939   -2.8559    0.0000 C   0  0
   21.3418   -2.1602    0.0000 C   0  0
   20.5197   -2.2043    0.0000 C   0  0
   21.7159   -1.4246    0.0000 F   0  0
   21.8635   -4.2846    0.0000 C   0  0
   22.3090   -4.9753    0.0000 N   0  0
   15.2065   -0.9337    0.0000 C   0  0
   14.4915   -0.5212    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11  7  1  0
  4  7  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 10 12  1  0
 16 18  1  0
 14 19  1  0
 19 20  3  0
 21 22  3  0
  1 21  1  0
M  END

$$$$
D06ILL
  -OEChem-03141904472D

 70 75  0     1  0  0  0  0  0999 V2000
    9.7126    2.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5965   -0.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9295   -2.5367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -0.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.2886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1145    0.7869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.8466    0.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6192   -1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8309   -2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4075   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6098   -1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9648   -2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2451    0.3119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3700    2.1792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9246    0.7043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3232    1.3945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2451    3.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480    3.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1237    0.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053    0.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3825    0.1669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7854    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1011   -3.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331   -2.7904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   -2.7904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3825    3.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2249   -2.2343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9621   -2.7090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2763    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0132   -1.3732    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 25  1  0  0  0  0
  2 64  1  0  0  0  0
  9  3  1  6  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4 18  1  0  0  0  0
  4 28  2  0  0  0  0
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 30 33  1  0  0  0  0
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 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
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 36 65  1  0  0  0  0
 36 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

$$$$
D06IME
  -OEChem-04152111182D

 46 49  0     0  0  0  0  0  0999 V2000
    5.4641    5.1970    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 32 45  1  0  0  0  0
 33 46  1  0  0  0  0
M  END

$$$$
D06IPZ
  -OEChem-10101305032D

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 35 71  1  0  0  0  0
M  END

$$$$
D06JCO
          10080900062D 1   1.00000     0.00000     0

 30 33  0     0  0            999 V2000
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 29 30  1  0     0  0
M  END

$$$$
D06JFI
  -OEChem-04152110212D

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M  END

$$$$
D06JHV
          08191000072D 1   1.00000     0.00000     0

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M  END

$$$$
D06KCU
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 97150  1  0  0  0  0
 98149  1  0  0  0  0
 99152  1  0  0  0  0
100151  1  0  0  0  0
M  CHG  4   7   1   8   1  17  -1  18  -1
M  END

$$$$
D06KGI
  -OEChem-04152111202D

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 37 84  1  0  0  0  0
 37 85  1  0  0  0  0
 38 39  2  0  0  0  0
 38 86  1  0  0  0  0
M  END

$$$$
D06KJQ
  -OEChem-10101305022D

106111  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D06KNJ
  CDK    9/16/09,10:7

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M  ENDM  END

$$$$
D06KSV
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M  END

$$$$
D06KTJ
  -OEChem-04152111232D

 46 49  0     1  0  0  0  0  0999 V2000
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 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D06KUY
  SciTegic02031411522D

 67 74  0  0  0  0            999 V2000
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 11  9  1  6
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 53 17  1  1
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 46 50  1  6
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 55 57  1  1
 44 51  1  1
M  END

$$$$
D06KXS
  -OEChem-10101305022D

 40 41  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D06LFV
  -OEChem-10101305032D

 47 48  0     0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END

$$$$
D06LQF
  -OEChem-03141904462D

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 30 32  2  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
M  ISO  1   1 131
M  END

$$$$
D06LQY
  -OEChem-02031521032D

 50 52  0     1  0  0  0  0  0999 V2000
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 20 48  1  0  0  0  0
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M  END

$$$$
D06LRG
  -OEChem-04152110582D

133135  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D06LUZ
  SciTegic11201309402D

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 36 71  1  1
M  END

$$$$
D06LVJ
          09011000062D 1   1.00000     0.00000     0

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   10.4326    1.0543    0.0000 O   0  0  0  0  0  0           0  0  0
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 71 75  1  0     0  0
  2 80  1  1     0  0
 26 81  1  6     0  0
 35 82  1  6     0  0
M  END

$$$$
D06MHZ
  -OEChem-02031521062D

 43 46  0     1  0  0  0  0  0999 V2000
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 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D06MIQ
  -OEChem-04152110422D

 49 52  0     1  0  0  0  0  0999 V2000
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   12.0027    0.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.0044    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.3241   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
 12  3  1  1  0  0  0
  3 36  1  0  0  0  0
 14  4  1  1  0  0  0
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 13  7  1  6  0  0  0
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  8 18  2  0  0  0  0
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 10 20  1  0  0  0  0
 10 21  2  0  0  0  0
 11 20  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
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 13 31  1  0  0  0  0
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 15 16  1  6  0  0  0
 15 33  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  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 25  2  0  0  0  0
 24 26  1  0  0  0  0
 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 29  2  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D06MLA
  -OEChem-03141904492D

 35 35  0     0  0  0  0  0  0999 V2000
    5.4641    5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.5000    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
    5.4641   -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   -1.5000    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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    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    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
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  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
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  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
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  7 21  1  0  0  0  0
  8 12  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
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 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
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 15 16  2  0  0  0  0
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 16 31  1  0  0  0  0
 17 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
M  END

$$$$
D06MNF
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    4.6783   -0.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -2.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.6970    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
    2.8660   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8709   -3.1970    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 17  2  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 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 32  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 14  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D06NYA
  -OEChem-10101305032D

 48 51  0     1  0  0  0  0  0999 V2000
    8.6524    2.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0185    0.1839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -1.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3955    0.1446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5294   -0.3554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6634    0.1446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3417    1.4493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5294    1.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9253    0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8124   -2.5736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    1.1766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372    1.8038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101    1.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 42  1  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 45  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
  4 14  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  6  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  1  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  6  0  0  0
  8 12  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 12  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 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
 13 36  1  0  0  0  0
 14 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 18  2  0  0  0  0
 16 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  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
 20 21  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
M  END

$$$$
D06OFD
          02260902372D 1   1.00000     0.00000     0

 29 31  0     0  0            999 V2000
    0.2708    0.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2708   -0.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8829   -0.8583    0.0000 N   0  0  0  0  0  0           0  0  0
    0.8829    0.5583    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4949    0.2042    0.0000 N   0  0  3  0  0  0           0  0  0
    1.4948   -0.5011    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1656   -0.7191    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5802   -0.1485    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1657    0.4220    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.3428   -0.8580    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8829    1.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2886   -0.1485    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6392   -0.7624    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3469   -0.7627    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.3438    0.4666    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6373    0.4639    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4101   -0.1479    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7634    0.4660    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4718    0.4670    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8251    1.0809    0.0000 F  -1  0  0  0  0  0           0  0  0
    2.1583   -1.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7652   -1.7812    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3797   -1.4305    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7614   -2.4902    0.0000 N   0  0  3  0  0  0           0  0  0
    3.3651   -2.8453    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9823   -2.4975    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1469   -2.8409    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5302   -2.4789    0.0000 C   0  0  0  0  0  0           0  0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
  1  2  1  0     0  0
 16 17  2  0     0  0
 17 12  1  0     0  0
  1  4  2  0     0  0
 15 18  1  0     0  0
  6  7  2  0     0  0
 18 19  1  0     0  0
  7  8  1  0     0  0
 19 20  1  0     0  0
  8  9  2  0     0  0
 20 21  1  0     0  0
  9  5  1  0     0  0
  7 22  1  0     0  0
  2  3  2  0     0  0
 22 23  1  0     0  0
  2 10  1  0     0  0
 23 24  2  0     0  0
  3  6  1  0     0  0
 23 25  1  0     0  0
  4 11  1  0     0  0
 25 26  1  0     0  0
  5  4  1  0     0  0
 26 27  1  0     0  0
  8 12  1  0     0  0
 25 28  1  0     0  0
  5  6  1  0     0  0
 28 29  1  0     0  0
 12 13  2  0     0  0
M  ISO  1  21  18
M  END

$$$$
D06OQI
  SciTegic01181116592D

 17 15  0  0  0  0            999 V2000
   17.9392   -7.9365    0.0000 C   0  0
   18.6505   -7.5258    0.0000 C   0  0
   19.3619   -7.9365    0.0000 O   0  0
   18.6505   -6.7043    0.0000 O   0  0
   10.5876   -6.8869    0.0000 C   0  0
   11.3012   -7.2977    0.0000 N   0  0
   12.0172   -6.8877    0.0000 C   0  0
   12.7323   -7.2994    0.0000 N   0  0
   12.0182   -6.0622    0.0000 N   0  0
   13.4483   -6.8894    0.0000 C   0  0
   14.1592   -7.3011    0.0000 C   0  0
   14.8752   -6.8911    0.0000 C   0  0
   15.5903   -7.3027    0.0000 C   0  0  1  0  0  0
   16.3063   -6.8929    0.0000 C   0  0
   15.5893   -8.1284    0.0000 N   0  0
   17.0214   -7.3044    0.0000 O   0  0
   16.3073   -6.0673    0.0000 O   0  0
  7  9  2  0
  1  2  1  0
  8 10  1  0
 10 11  1  0
  5  6  1  0
 11 12  1  0
  2  3  1  0
 13 12  1  0
  6  7  1  0
 13 14  1  0
 13 15  1  1
  7  8  1  0
 14 16  1  0
  2  4  2  0
 14 17  2  0
M  ENDM  END

$$$$
D06OZJ
  -OEChem-10101305022D

 56 59  0     0  0  0  0  0  0999 V2000
    5.6622   -5.4055    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5078    3.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712   -0.8177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744    0.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9811    1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532   -0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934    2.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -1.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8001    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6942   -2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7946    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2123    4.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6136    5.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622   -4.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3378    1.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1245    3.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 32  1  0  0  0  0
  2 56  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
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 10 14  1  0  0  0  0
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 13 17  2  0  0  0  0
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 15 24  1  0  0  0  0
 15 39  1  0  0  0  0
 16 25  2  0  0  0  0
 16 40  1  0  0  0  0
 17 22  1  0  0  0  0
 17 41  1  0  0  0  0
 18 23  2  0  0  0  0
 18 42  1  0  0  0  0
 19 26  1  0  0  0  0
 19 43  1  0  0  0  0
 20 27  2  0  0  0  0
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 21 30  3  0  0  0  0
 22 28  2  0  0  0  0
 22 45  1  0  0  0  0
 23 28  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 29  2  0  0  0  0
 26 49  1  0  0  0  0
 27 29  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  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
M  END

$$$$
D06OZW
  -OEChem-04152110432D

 58 62  0     1  0  0  0  0  0999 V2000
    9.1539   -2.4007    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3177    0.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1537   -2.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4004   -1.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6664    0.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
M  END

$$$$
D06PGZ
  -OEChem-04152110312D

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 38 63  1  0  0  0  0
M  END

$$$$
D06PHH
          05180701092D 1   1.00000     0.00000     0

 29 32  0     1  0            999 V2000
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 14 11  1  0     0  0
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 10  8  1  0     0  0
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 11  3  2  0     0  0
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 25 22  1  0     0  0
 26 22  2  0     0  0
 27 26  1  0     0  0
 28 25  2  0     0  0
 29 27  2  0     0  0
 17 15  1  0     0  0
 28 29  1  0     0  0
M  END

$$$$
D06PII
  -OEChem-10101305032D

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 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D06QAK
  -OEChem-04152111322D

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284285  1  0  0  0  0
284574  1  0  0  0  0
284575  1  0  0  0  0
M  END

$$$$
D06QBV
  -OEChem-04152110522D

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 27 51  1  0  0  0  0
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 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

$$$$
D06QBY
  -OEChem-04152110402D

 43 46  0     0  0  0  0  0  0999 V2000
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 30 31  2  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
M  END

$$$$
D06QEL
  -OEChem-02041520392D

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 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 24  1  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
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  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
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  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 34  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
M  CHG  2   4  -1  11   1
M  END

$$$$
D06QOA
  -OEChem-04152122312D

 52 55  0     1  0  0  0  0  0999 V2000
    4.5000    1.5437    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8709    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1783    0.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    2.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.5437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.5437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.4097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9908    0.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    1.0437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917    1.5437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1393   -0.7396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8341   -1.0968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6774   -2.3859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1783    1.8484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2320    1.5437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2320    0.5437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7619    1.0437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3660    0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9883    2.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3455    0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3455    1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960    0.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0403   -0.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8836   -1.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7351   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6857   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3220    2.3889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3220   -0.3016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0436    0.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9675   -0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7646   -0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3519    1.9326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4905    2.7983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6248    2.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1529    2.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631   -0.4984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -0.7253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    0.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1388   -2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0880   -2.5785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2472   -0.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0272   -1.0224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8783   -0.7541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750    0.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4930    0.4246    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  6  1  0  0  0  0
  1  7  2  0  0  0  0
 14  2  1  1  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  1  0  0  0  0
  5 18  1  0  0  0  0
  6 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 28  1  0  0  0  0
 17  9  1  6  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 21  2  0  0  0  0
 10 22  1  0  0  0  0
 11 20  1  0  0  0  0
 11 25  2  0  0  0  0
 12 24  2  0  0  0  0
 12 25  1  0  0  0  0
 13 25  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  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
 15 30  1  6  0  0  0
 16 18  1  0  0  0  0
 16 31  1  1  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 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 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
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  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 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END

$$$$
D06QXI
  -OEChem-10191523012D

 58 60  0     1  0  0  0  0  0999 V2000
    3.2774   -3.9682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -2.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.3859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8928    0.5218    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8928    0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0249    0.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    3.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3660    4.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1531   -1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890   -0.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2813   -2.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2941    1.1252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9981   -0.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    0.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5720    1.3444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022    2.1905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9562    2.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4891    0.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    0.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.4927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.8024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    3.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    4.0647    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
  1 58  1  0  0  0  0
  2 26  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  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 13  2  0  0  0  0
  6 16  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  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 12  2  0  0  0  0
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 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  2  0  0  0  0
 11 33  1  0  0  0  0
 12 17  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 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 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
 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 23  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  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
 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
M  END

$$$$
D06QZL
  -OEChem-10101305032D

 42 45  0     0  0  0  0  0  0999 V2000
    6.2619   -1.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3426    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 24  1  0  0  0  0
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 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
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 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  2  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
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D06RBJ
  -OEChem-02041520492D

 68 69  0     0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 25 49  1  0  0  0  0
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 25 51  1  0  0  0  0
 26 46  1  0  0  0  0
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 27 52  1  0  0  0  0
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 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
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 29 31  1  0  0  0  0
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 29 59  1  0  0  0  0
 30 32  1  0  0  0  0
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 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
M  END

$$$$
D06RHC
  -OEChem-04152110562D

 30 31  0     0  0  0  0  0  0999 V2000
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    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 13 22  1  0  0  0  0
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 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
M  END

$$$$
D06RIM
  -OEChem-04152111152D

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

$$$$
D06RVQ
  -OEChem-03141904532D

  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  END

$$$$
D06RYY
  MDL     03130713352D 1   1.00000     0.00000     0

 28 30  0     0  0            999 V2000
    4.2792   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2792   -3.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5042   -2.6542    0.0000 N   0  0  3  0  0  0           0  0  0
    4.8917   -2.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6667   -3.7167    0.0000 N   0  5  0  0  0  0           0  0  0
    5.5042   -3.3625    0.0000 N   0  0  0  0  0  0           0  0  0
    4.8917   -3.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6667   -2.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0542   -3.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0542   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1167   -2.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1167   -1.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4417   -3.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4417   -2.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8917   -1.5917    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7292   -2.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6667   -1.5917    0.0000 O   0  0  0  0  0  0           0  0  0
    4.8917   -4.4250    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7292   -1.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8292   -3.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3417   -1.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8292   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3417   -2.2875    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2042   -3.7167    0.0000 Cl  0  0  0  0  0  0           0  0  0
    7.0917   -3.8750    0.0000 Na  0  3  0  0  0  0           0  0  0
    7.9542   -1.2250    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5042   -1.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5667   -1.5750    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  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
  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  3  1  0     0  0
 12 11  1  0     0  0
 13  9  1  0     0  0
 14 10  1  0     0  0
 15  4  2  0     0  0
 16 11  2  0     0  0
 17  8  2  0     0  0
 18  7  2  0     0  0
 19 12  2  0     0  0
 20 22  1  0     0  0
 21 23  2  0     0  0
 22 14  2  0     0  0
 23 16  1  0     0  0
 24 20  1  0     0  0
 26 21  1  0     0  0
 27 12  1  0     0  0
 28 26  1  0     0  0
  6  7  1  0     0  0
  9  5  1  0     0  0
 13 20  2  0     0  0
 21 19  1  0     0  0
M  CHG  2   5  -1  25   1
M  END

$$$$
D06SBD
  -OEChem-04152111152D

 25 25  0     0  0  0  0  0  0999 V2000
    6.3301   -2.1550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6550    0.0000 O   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
    6.3301   -1.1550    0.0000 N   0  3  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    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
    2.0000    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
    3.7320   -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
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2250    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
    3.4860    1.8450    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
    2.2460    1.8450    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
    6.0010    0.6550    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
    5.1350    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    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  4  2  0  0  0  0
  3  7  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  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  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  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 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  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 13  1  0  0  0  0
 12 23  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D06SJZ
  -OEChem-08301509472D

 40 42  0     1  0  0  0  0  0999 V2000
   14.1904   -1.5068    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0173    0.0000 C   0  0  3  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
    8.0622   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.9827    0.0000 C   0  0  0  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
    7.1962    0.5173    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
   11.5263    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4827    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
    9.7942   -0.9827    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
   12.4202   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4202    0.5520    0.0000 C   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
   13.3263   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    0.0381    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
    4.5981    0.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -0.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -0.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131   -2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8620    0.3502    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
    1.4631    0.8273    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 23  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 25  1  0  0  0  0
  5 19  2  0  0  0  0
  6 11  2  0  0  0  0
  6 18  1  0  0  0  0
  7 15  2  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
  8 19  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
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  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 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  2  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 36  1  0  0  0  0
 23 24  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
 25 40  1  0  0  0  0
M  END

$$$$
D06SUS
  -OEChem-08301509462D

 54 54  0     0  0  0  0  0  0999 V2000
    6.3301    1.7500    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
   10.6603   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7500    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
    2.8660    1.7500    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
    8.9282    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
    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
    8.0622    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
    8.9282    1.2500    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
    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
    9.7942   -1.2500    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
   11.5263   -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
   11.5263   -4.2500    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
    3.2646    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.0600    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
    2.5560    0.2869    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
    3.1760   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9063   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1463   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    4.2500    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
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  2 23  1  0  0  0  0
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  3 21  1  0  0  0  0
  4 10  2  0  0  0  0
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  6 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 19  1  0  0  0  0
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  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 15  1  0  0  0  0
 14 20  1  0  0  0  0
 14 32  1  0  0  0  0
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 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  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 24  1  0  0  0  0
 22 45  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
 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
M  END

$$$$
D06SYN
          03171000112D 1   1.00000     0.00000     0

 29 30  0     0  0            999 V2000
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    5.0932   -2.5357    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7080   -2.8902    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3203   -2.5352    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3174   -1.8214    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7062   -1.4706    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9297   -1.4652    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5443   -1.8173    0.0000 N   0  0  0  0  0  0           0  0  0
    6.9274   -0.7569    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4810   -1.4708    0.0000 I   4  0  0  0  0  0           0  0  0
    6.9348   -2.8876    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4796   -2.8895    0.0000 N   0  0  0  0  0  0           0  0  0
    3.8663   -2.5350    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2527   -2.8888    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8667   -1.8267    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6402   -2.5334    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0270   -2.8867    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0262   -3.5957    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6438   -3.9501    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2545   -3.5948    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5466   -2.5257    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1566   -1.4612    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7712   -1.8133    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.6103   -1.4531    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3811   -0.7488    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9934   -0.3926    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4131   -3.9503    0.0000 F   0  0  0  0  0  0           0  0  0
 13 14  1  0     0  0
  5  7  1  0     0  0
 13 15  2  0     0  0
  3  4  2  0     0  0
 14 16  2  0     0  0
  7  8  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
  7  9  2  0     0  0
 18 19  1  0     0  0
  4  5  1  0     0  0
 19 20  2  0     0  0
 20 14  1  0     0  0
  1 10  1  0     0  0
  2  3  1  0     0  0
  4 11  1  0     0  0
  8 22  1  0     0  0
 11 21  1  0     0  0
 22 23  1  0     0  0
  5  6  2  0     0  0
 23 24  1  0     0  0
  2 12  1  0     0  0
 24 25  1  0     0  0
  6  1  1  0     0  0
 25 26  1  0     0  0
 12 13  1  0     0  0
 24 27  1  0     0  0
  1  2  2  0     0  0
 27 28  1  0     0  0
 18 29  1  0     0  0
M  ISO  1  10 131
M  END

$$$$
D06TFI
  -OEChem-10191523082D

 47 51  0     0  0  0  0  0  0999 V2000
    9.7237   -0.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -1.9956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -1.9956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.4047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    2.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5955    1.0157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0005   -1.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069   -1.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5032   -2.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0634    2.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9574    0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3314    2.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8634    1.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1312    0.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5979    1.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
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  7 11  2  0  0  0  0
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  8 30  1  0  0  0  0
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 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
 12 15  1  0  0  0  0
 13 14  2  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  2  0  0  0  0
 16 20  2  0  0  0  0
 16 35  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 19 25  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  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

$$$$
D06TKE
  -OEChem-04152108542D

 41 41  0     0  0  0  0  0  0999 V2000
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    3.1350    1.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0010    3.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.6200    0.0000 N   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
    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
    2.2690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  2  0  0  0  0
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  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
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  6  9  2  0  0  0  0
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  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 24  1  0  0  0  0
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 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 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  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
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

$$$$
D06TKI
  -OEChem-04152110452D

 48 52  0     1  0  0  0  0  0999 V2000
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   15.4075   -1.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9942    1.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8094   -2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5414   -2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 25  2  0  0  0  0
  3  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 10 30  1  6  0  0  0
 11 12  1  0  0  0  0
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 11 31  1  6  0  0  0
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 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 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  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 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
M  END

$$$$
D06TQR
  -OEChem-04152111292D

 52 55  0     0  0  0  0  0  0999 V2000
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    8.0622    2.7307    0.0000 F   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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 25 27  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
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  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
M  END

$$$$
D06TWE
          05310700082D 1   1.00000     0.00000     0

 37 40  0     0  0            999 V2000
   12.4500   -1.0417    0.0000 N   0  0  0  0  0  0           0  0  0
   12.6708   -0.3667    0.0000 C   0  0  0  0  0  0           0  0  0
   11.7417   -1.0375    0.0000 C   0  0  0  0  0  0           0  0  0
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   12.1000    0.0542    0.0000 S   0  0  0  0  0  0           0  0  0
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   13.3417   -0.1542    0.0000 O   0  0  0  0  0  0           0  0  0
   11.3250   -1.6083    0.0000 O   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
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  7  4  2  0     0  0
  8  4  1  0     0  0
  9  7  1  0     0  0
 10 21  1  0     0  0
 11  2  2  0     0  0
 12  3  2  0     0  0
 13  6  1  0     0  0
 14 16  2  0     0  0
 15  8  2  0     0  0
 16 20  1  0     0  0
 17 19  2  0     0  0
 18 25  1  0     0  0
 19  9  1  0     0  0
 20  9  2  0     0  0
 21 28  2  0     0  0
 22 27  1  0     0  0
 23 13  1  0     0  0
 24 18  1  0     0  0
 25 32  1  0     0  0
 26  8  1  0     0  0
 27 24  2  0     0  0
 28 24  1  0     0  0
 29 23  2  0     0  0
 30 23  1  0     0  0
 31 29  1  0     0  0
 32 30  2  0     0  0
 33 16  1  0     0  0
 34 17  1  0     0  0
 35 26  1  0     0  0
 36 33  1  0     0  0
 37 34  1  0     0  0
  6  5  1  0     0  0
 31 25  2  0     0  0
 22 10  2  0     0  0
 17 14  1  0     0  0
M  END

$$$$
D06UKG
          01210517082D 1   1.00000     0.00000     0

 39 43  0     1  0            999 V2000
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M  END

$$$$
D06UWF
  -OEChem-04152111322D

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 86179  1  0  0  0  0
 88 92  1  0  0  0  0
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 89181  1  0  0  0  0
 89182  1  0  0  0  0
 89183  1  0  0  0  0
 90184  1  0  0  0  0
 90185  1  0  0  0  0
 90186  1  0  0  0  0
 91 93  1  0  0  0  0
 91189  1  0  0  0  0
 91190  1  0  0  0  0
 92 94  1  0  0  0  0
 92191  1  0  0  0  0
 92192  1  0  0  0  0
 93194  1  0  0  0  0
 93195  1  0  0  0  0
 94 99  2  0  0  0  0
 94100  1  0  0  0  0
 95 96  1  0  0  0  0
 96 98  1  0  0  0  0
 96197  1  0  0  0  0
 98101  1  0  0  0  0
 98198  1  0  0  0  0
 98199  1  0  0  0  0
 99103  1  0  0  0  0
 99202  1  0  0  0  0
100104  2  0  0  0  0
100203  1  0  0  0  0
101109  1  0  0  0  0
101205  1  0  0  0  0
101206  1  0  0  0  0
102105  1  0  0  0  0
103107  2  0  0  0  0
103212  1  0  0  0  0
104107  1  0  0  0  0
104213  1  0  0  0  0
105106  1  0  0  0  0
105211  1  0  0  0  0
106108  1  0  0  0  0
106214  1  0  0  0  0
106215  1  0  0  0  0
107216  1  0  0  0  0
108110  1  0  0  0  0
108217  1  0  0  0  0
108218  1  0  0  0  0
110111  1  0  0  0  0
110219  1  0  0  0  0
110220  1  0  0  0  0
111223  1  0  0  0  0
111224  1  0  0  0  0
M  END

$$$$
D06VAQ
          02241000392D 1   1.00000     0.00000     0

 29 28  0     0  0            999 V2000
    1.3207    0.3655    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3448   -0.3793    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6448    0.7172    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9586    0.7655    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0069   -0.7310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7138   -0.7759    0.0000 O   0  5  0  0  0  0           0  0  0
    0.0069    0.3103    0.0000 N   0  0  0  0  0  0           0  0  0
    2.6172    0.4172    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6414   -0.3345    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0276   -1.4897    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6517    0.6552    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6931   -1.8448    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2897    0.2621    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9517    0.6138    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.5897    0.2138    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2448    0.5621    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8828    0.1621    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2724    1.3069    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.5483    0.5138    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8655   -0.5966    0.0000 O   0  5  0  0  0  0           0  0  0
   -3.9379    1.6621    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.5724    1.2655    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.1793    0.1172    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.8379    0.4690    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7897   -0.7621    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4379   -1.1379    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1414   -1.1379    0.0000 O   0  5  0  0  0  0           0  0  0
    5.7897   -0.0138    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6931   -1.1690    0.0000 Mn  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
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  2  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
  7 11  1  0     0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 16 18  1  0     0  0
 17 19  1  0     0  0
 17 20  1  0     0  0
 18 21  2  0     0  0
 19 22  2  0     0  0
 19 23  1  0     0  0
 23 24  1  0     0  0
 25 26  1  0     0  0
 25 27  1  0     0  0
 25 28  2  0     0  0
  8  9  1  0     0  0
 21 22  1  0     0  0
M  CHG  4   6  -1  20  -1  27  -1  29   3
M  END

$$$$
D06VCN
  -OEChem-10101305032D

 45 47  0     1  0  0  0  0  0999 V2000
    2.0000    2.0655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -4.1664    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9590    4.1664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727    2.8281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4945    3.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636    1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    2.1700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4432    0.3336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3092   -0.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -1.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    0.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2158    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -1.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -0.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -1.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    0.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -3.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0515    2.6059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 45  1  0  0  0  0
M  END

$$$$
D06VHG
  -OEChem-04152122312D

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 25 27  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
M  END

$$$$
D06VLI
          02221100062D 1   1.00000     0.00000     0

 47 52  0     1  0            999 V2000
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    0.9917   -2.2167    0.0000 C   0  0  0  0  0  0           0  0  0
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 10  1  1  0     0  0
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 36 20  1  0     0  0
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 38 30  1  0     0  0
 26 39  1  6     0  0
 40 30  1  0     0  0
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 46 43  1  0     0  0
 47 44  1  0     0  0
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 17 25  1  0     0  0
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  8 14  2  0     0  0
M  END

$$$$
D06VMJ
  -OEChem-04152111122D

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 23 44  1  0  0  0  0
M  END

$$$$
D06VWL
  -OEChem-10101305022D

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M  END

$$$$
D06VZN
  MDL     03130712142D 1   1.00000     0.00000     0

120123  0     1  0            999 V2000
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 95 99  1  0     0  0
 40 68  1  0     0  0
M  END

$$$$
D06WHY
  -OEChem-10121501572D

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

$$$$
D06WOF
  -OEChem-03141904542D

222229  0     1  0  0  0  0  0999 V2000
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113219  1  0  0  0  0
113220  1  0  0  0  0
114221  1  0  0  0  0
114222  1  0  0  0  0
M  END

$$$$
D06WPM
  -OEChem-08301509492D

  7  4  0     0  0  0  0  0  0999 V2000
    2.5369    0.0000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 S   0  5  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
    3.4030    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  CHG  2   2  -1   3  -1
M  END

$$$$
D06WQT
  -OEChem-04152108532D

 32 34  0     0  0  0  0  0  0999 V2000
    4.5921   -0.8174    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405   -0.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    2.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    2.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116   -2.3473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    2.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8602   -0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1388    2.0501    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 16  1  0  0  0  0
  2 13  2  0  0  0  0
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  3 26  1  0  0  0  0
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  5 30  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
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  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 23  1  0  0  0  0
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 16 17  2  0  0  0  0
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 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D06WRF
  -OEChem-10101305022D

 58 62  0     1  0  0  0  0  0999 V2000
   11.5673   -4.7944    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3108   -3.8145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.3896    1.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7877   -0.2608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8701   -1.7746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4409    3.9625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.5236    2.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    4.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3896   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7877    0.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7302   -2.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7187   -3.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6020   -1.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5789   -3.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4622   -2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4506   -3.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    4.6992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5149    2.3609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0436    3.0977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390    3.7546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4838    4.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1084    1.9889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9200    1.8164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4630    5.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9030    2.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0002    2.1524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6016    2.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    5.1044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    4.2574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1216    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1216   -1.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7696   -1.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3896   -2.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0096   -1.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3234    1.0929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3296   -2.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092   -1.1746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0027   -2.0008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 33  1  0  0  0  0
  3 29  1  0  0  0  0
  4 17  1  0  0  0  0
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  6 18  1  0  0  0  0
  7 22  1  0  0  0  0
  7 27  2  0  0  0  0
  8 25  2  0  0  0  0
  8 27  1  0  0  0  0
  9 25  1  0  0  0  0
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  9 56  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 34  1  6  0  0  0
 11 13  1  0  0  0  0
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 11 35  1  6  0  0  0
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 12 36  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  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
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  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
 21 22  2  0  0  0  0
 21 50  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  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 55  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
 30 32  2  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

$$$$
D06XBN
  -OEChem-08301509492D

873941  0     1  0  0  0  0  0999 V2000
   31.7928   11.3437    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   16.3797   -3.7577    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   32.3551    3.5046    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.4447    7.3470    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   15.3762    0.8452    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   31.6044   16.1608    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   35.8088    6.8679    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   26.0772   22.5983    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.3119  -15.4722    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   15.3952  -11.7663    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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547550  1  0  0  0  0
M  END

$$$$
D06XCP
  -OEChem-03141904472D

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 45 78  1  0  0  0  0
 45 79  1  0  0  0  0
 46 80  1  0  0  0  0
M  END

$$$$
D06XDJ
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
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 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D06YSP
  -OEChem-10101305022D

 61 64  0     0  0  0  0  0  0999 V2000
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    3.7320    0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0920    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0920   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.4179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.1082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    2.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    2.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.8929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5458    2.6145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574    2.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574    0.1289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5458    0.3866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.1905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4020    1.1714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2120   -0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5551   -1.4076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4020   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6289   -0.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6289    0.3245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4020    1.1714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5551    0.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2820   -0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2820   -2.5005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 26  1  0  0  0  0
  2 60  1  0  0  0  0
  3 27  1  0  0  0  0
  3 61  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 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  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 13  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 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  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
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 46  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 22  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 24 51  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 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

$$$$
D06YWH
  -OEChem-10101305022D

 47 49  0     0  0  0  0  0  0999 V2000
    4.1819    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    3.2018    4.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    8.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6138    3.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140    5.4355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140    7.0450    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6138    9.1522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9495    7.6636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5976    6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247    4.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247    7.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    7.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976    6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3032    4.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3032    8.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    7.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710    7.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5924    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5924    9.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2602    8.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7109    4.3976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3041    3.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3041    8.6152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7109    8.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976    5.6203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2176    6.2403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976    6.8603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9170    4.3661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3238    4.8984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    4.5856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    7.8949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7784    6.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4645    2.5154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990    2.9942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7202    3.7287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7850    9.9478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8669    8.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4 19  1  0  0  0  0
  4 26  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 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 20  2  0  0  0  0
  7 27  1  0  0  0  0
  8 25  2  0  0  0  0
  8 28  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
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 20  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
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  2  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 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 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 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D06ZHZ
          05291000482D 1   1.00000     0.00000     0

 14 14  0     1  0            999 V2000
    2.0750   -1.2708    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7208   -1.8875    0.0000 C   0  0  3  0  0  0           0  0  0
    1.3654   -1.2740    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1937   -1.8874    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5729   -2.2416    0.0000 C   0  0  2  0  0  0           0  0  0
    3.5729   -2.9541    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1937   -3.3124    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8103   -2.9541    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8103   -2.2416    0.0000 N   0  0  0  0  0  0           0  0  0
    4.1937   -1.1749    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9563   -1.8874    0.0000 N   0  0  0  0  0  0           0  0  0
    2.3396   -2.2416    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3396   -2.9541    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1052   -2.2411    0.0000 C   0  0  0  0  0  0           0  0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
  9  4  1  0     0  0
  4 10  2  0     0  0
  2 12  1  0     0  0
 12 13  2  0     0  0
 11 12  1  0     0  0
  5 11  1  6     0  0
  2  1  1  0     0  0
  2 14  1  0     0  0
  3  2  1  0     0  0
M  END

$$$$
D06ZVO
  -OEChem-10101305022D

 42 40  0     1  0  0  0  0  0999 V2000
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    3.1350    9.1200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.5369    2.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2690    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2690    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    7.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    2.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4030    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8660    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8660    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    2.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 16  1  0  0  0  0
  3 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 40  1  0  0  0  0
  7 22  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 21  9  1  1  0  0  0
  9 38  1  0  0  0  0
  9 39  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 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 19  1  0  0  0  0
 13 27  1  0  0  0  0
 14 20  2  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  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
 18 21  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
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D06ZWL
  -OEChem-10101305022D

 30 32  0     1  0  0  0  0  0999 V2000
    5.8055    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3452    1.3892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.0818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3435    0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794   -0.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4713   -0.2175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9602    0.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5672    3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 26  1  0  0  0  0
 10  4  1  6  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  2  0  0  0  0
  7 17  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 18  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 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  6  0  0  0
 12 22  1  0  0  0  0
 13 16  2  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
 16 17  1  0  0  0  0
M  END

$$$$
D06ZXH
  -OEChem-02051508362D

 55 59  0     1  0  0  0  0  0999 V2000
    3.3601    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2314    5.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1561    3.8050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1607    4.5711    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.6897    5.0466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5133    4.5711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3370    5.0466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8660    4.5711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2392    5.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    5.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3370    5.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918    5.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    3.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    6.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    6.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8418    3.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8164    4.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    7.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    7.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    3.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    4.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    4.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    7.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6284    4.2481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0496    4.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    6.3488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6795    6.0109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239    3.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9476    5.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    6.5803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1840    5.9279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989    6.3570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912    2.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882    2.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215    3.5019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0834    3.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2638    3.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4570    4.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503    7.7343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3348    3.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893    3.2028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6765    5.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8219    5.2394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7202    4.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5239    4.9048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    8.5198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3601    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 55  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  8  3  1  1  0  0  0
  3 43  1  0  0  0  0
 14  4  1  6  0  0  0
  4 50  1  0  0  0  0
  5 23  1  0  0  0  0
  5 54  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  1  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  6  0  0  0
 10 14  1  0  0  0  0
 10 29  1  1  0  0  0
 11 16  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  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
 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 22  1  0  0  0  0
 19 23  2  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 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 44  1  0  0  0  0
 22 27  2  0  0  0  0
 22 45  1  0  0  0  0
 23 27  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 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  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
M  END

$$$$
D07AHC
  -OEChem-10101305032D

 37 39  0     0  0  0  0  0  0999 V2000
    5.1350    0.2327    0.0000 O   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
    4.2690   -0.2673    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
    3.4030    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2327    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
    8.5991    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -1.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -2.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -2.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  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
  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 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  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 37  1  0  0  0  0
M  END

$$$$
D07ANO
  -OEChem-02041521242D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000   -2.5344    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.4271    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.3776    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    2.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 14  2  0  0  0  0
  9 11  1  0  0  0  0
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  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 13  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  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
 19 24  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D07AOL
          06151001082D 1   1.00000     0.00000     0

 11 11  0     0  0            999 V2000
    6.5375   -2.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1500   -1.7792    0.0000 S   0  0  0  0  0  0           0  0  0
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    2.8625   -2.8625    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.8625   -3.5750    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  2  0     0  0
  4  6  1  0     0  0
  5  3  1  0     0  0
  6  5  1  0     0  0
  7  4  2  0     0  0
  8  4  1  0     0  0
  9  7  1  0     0  0
 10  8  2  0     0  0
 11 10  1  0     0  0
  9 11  2  0     0  0
M  END

$$$$
D07ARN
  -OEChem-04152111182D

 61 66  0     0  0  0  0  0  0999 V2000
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    8.4530    0.4983    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9376   -2.1820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2963   -0.5255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  2  0  0  0  0
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 30 55  1  0  0  0  0
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 36 38  2  0  0  0  0
 36 60  1  0  0  0  0
 37 38  1  0  0  0  0
 37 61  1  0  0  0  0
M  END

$$$$
D07BGC
  -OEChem-04152111252D

 50 54  0     0  0  0  0  0  0999 V2000
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 14 16  2  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  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
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  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
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D07BIK
          06020900172D 1   1.00000     0.00000     0

 21 20  0     1  0            999 V2000
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    7.6038   -7.9783    0.0000 C   0  0  1  0  0  0           0  0  0
    6.8929   -7.9619    0.0000 C   0  0  1  0  0  0           0  0  0
    8.2261   -7.6343    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8356   -8.0033    0.0000 O   0  5  0  0  0  0           0  0  0
    8.2403   -6.9269    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2880   -7.5883    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6756   -7.9350    0.0000 N   0  0  0  0  0  0           0  0  0
    6.3053   -6.8796    0.0000 O   0  0  0  0  0  0           0  0  0
    5.0686   -7.5649    0.0000 C   0  0  1  0  0  0           0  0  0
    5.0785   -6.8433    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4556   -6.4965    0.0000 C   0  0  3  0  0  0           0  0  0
    4.4576   -5.7852    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8434   -6.8513    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4512   -7.9095    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8416   -7.5345    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2250   -7.8771    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6193   -7.5104    0.0000 C   0  0  3  0  0  0           0  0  0
    1.9834   -7.8462    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6327   -6.8026    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6875   -7.9750    0.0000 Na  0  3  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  3  1  1  0     0  0
  4  5  1  0     0  0
  4  6  2  0     0  0
  2  4  1  1     0  0
  8  7  1  0     0  0
  7  9  2  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 12 14  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
 20 18  1  0     0  0
 16 17  1  0     0  0
 15 16  1  0     0  0
 10 15  1  0     0  0
 10  8  1  6     0  0
  3  7  1  6     0  0
M  CHG  2   5  -1  21   1
M  END

$$$$
D07BKR
  -OEChem-04152122302D

 62 65  0     1  0  0  0  0  0999 V2000
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    8.1282   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2622   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0067    2.6423    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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 11  6  1  6  0  0  0
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  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
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  8 13  2  0  0  0  0
  8 19  1  0  0  0  0
  9 25  1  0  0  0  0
  9 48  1  0  0  0  0
 10 18  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 14 22  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 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 23  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 35  3  0  0  0  0
 23 28  2  0  0  0  0
 23 49  1  0  0  0  0
 24 29  2  0  0  0  0
 24 50  1  0  0  0  0
 25 30  2  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  2  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 30 36  1  0  0  0  0
 30 55  1  0  0  0  0
 31 37  2  0  0  0  0
 31 56  1  0  0  0  0
 32 34  2  0  0  0  0
 33 34  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
 36 38  2  0  0  0  0
 36 60  1  0  0  0  0
 37 38  1  0  0  0  0
 37 61  1  0  0  0  0
 38 62  1  0  0  0  0
M  END

$$$$
D07BRZ
  -OEChem-04152110172D

 67 71  0     1  0  0  0  0  0999 V2000
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 19  6  1  1  0  0  0
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  7 65  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
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  9 37  1  0  0  0  0
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 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 15  1  0  0  0  0
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 18 19  1  0  0  0  0
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 19 55  1  0  0  0  0
 20 21  2  0  0  0  0
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 21 25  1  0  0  0  0
 21 57  1  0  0  0  0
 22 26  2  0  0  0  0
 22 58  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
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 28 30  1  0  0  0  0
 28 62  1  0  0  0  0
 29 32  2  0  0  0  0
 29 63  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 64  1  0  0  0  0
 33 34  2  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
M  END

$$$$
D07BXC
  SciTegic11301210262D

 30 34  0  0  1  0            999 V2000
    1.4792    1.2000    0.0000 C   0  0
   -2.2458   -0.4875    0.0000 C   0  0  1  0  0  0
   -2.9708   -1.7417    0.0000 N   0  0
    1.9625    0.5000    0.0000 N   0  0
   -2.2458   -1.3167    0.0000 C   0  0  2  0  0  0
    1.9792    1.8333    0.0000 S   0  0
   -1.5375   -0.0667    0.0000 C   0  0
    2.7542    0.7625    0.0000 C   0  0
   -3.6875   -1.3167    0.0000 C   0  0
    2.7542    1.5958    0.0000 C   0  0
   -0.7958   -0.4875    0.0000 C   0  0
   -2.9708   -0.0667    0.0000 C   0  0
    0.6375    1.2000    0.0000 S   0  0
   -1.5375   -1.7417    0.0000 C   0  0
   -1.5375    0.7833    0.0000 C   0  0
   -3.6875   -0.4875    0.0000 C   0  0
   -0.0708   -0.0667    0.0000 C   0  0
   -0.7958   -1.3167    0.0000 C   0  0
   -0.0708    0.7833    0.0000 C   0  0
   -4.3958   -1.7417    0.0000 O   0  0
    3.4625    0.3333    0.0000 C   0  0
   -0.7958    1.2000    0.0000 C   0  0
   -2.2458    0.3333    0.0000 C   0  0
   -2.9708   -2.5667    0.0000 C   0  0
    3.4625    2.0208    0.0000 C   0  0
    4.1875    1.5958    0.0000 C   0  0
    4.1875    0.7625    0.0000 C   0  0
    3.4625   -0.5000    0.0000 C   0  0
    4.1792   -0.9250    0.0000 C   0  0
   -2.2458   -2.1375    0.0000 H   0  0
  2  7  1  0
  3  5  1  0
  4  1  2  0
  5  2  1  0
  6  1  1  0
  7 15  1  0
  8  4  1  0
  9 16  1  0
 10  6  1  0
 11 17  1  0
 12  2  1  0
 13  1  1  0
 14 18  1  0
 15 22  2  0
 16 12  1  0
 17 19  2  0
 18 11  1  0
 19 13  1  0
 20  9  2  0
 21  8  2  0
 22 19  1  0
  2 23  1  1
 24  3  1  0
 25 10  2  0
 26 25  1  0
 27 21  1  0
 28 21  1  0
 29 28  1  0
  5 30  1  6
  8 10  1  0
  7 11  2  0
 27 26  2  0
  5 14  1  0
  3  9  1  0
M  END

$$$$
D07BXE
          05090700062D 1   1.00000     0.00000     0

 19 22  0     0  0            999 V2000
    0.3414   -0.3276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3345    0.4966    0.0000 N   0  0  3  0  0  0           0  0  0
    1.1241   -0.5793    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3759   -0.7448    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1138    0.7552    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3862    0.9034    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6034    0.0931    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4690   -1.3310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0931   -0.3379    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3621    1.5414    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0966    0.4862    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4276    0.0172    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2966   -1.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8000   -0.7517    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8103    0.8966    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7759   -0.7345    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5207   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5241    0.4793    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2483    0.8966    0.0000 N   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
  5 10  2  0     0  0
  6 11  1  0     0  0
  7 12  1  0     0  0
  8 13  2  0     0  0
  9 14  1  0     0  0
 11 15  1  0     0  0
 12 16  2  0     0  0
 14 17  2  0     0  0
 15 18  2  0     0  0
 18 19  1  0     0  0
  5  7  1  0     0  0
  9 11  2  0     0  0
 13 16  1  0     0  0
 17 18  1  0     0  0
M  END

$$$$
D07CAQ
  -OEChem-04152110152D

 60 59  0     1  0  0  0  0  0999 V2000
   14.9904   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.1550    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
   14.9904   -0.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.6550    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
   15.8564   -0.1550    0.0000 C   0  0  2  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
    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9248   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8598   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7258    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5273   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3933    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13  1  1  1  0  0  0
  1 54  1  0  0  0  0
  2 19  1  0  0  0  0
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 16  3  1  6  0  0  0
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 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
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 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 19  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  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 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  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
M  END

$$$$
D07CIN
  -OEChem-04152109402D

 48 51  0     1  0  0  0  0  0999 V2000
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    5.6040    1.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0871   -1.4637    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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   10.2844   -0.8773    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.6663   -0.8773    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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 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

$$$$
D07CJN
  -OEChem-04152109262D

 30 33  0     0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D07CLV
  -OEChem-10191521162D

 69 72  0     1  0  0  0  0  0999 V2000
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 34 35  1  0  0  0  0
 34 68  1  0  0  0  0
 35 69  1  0  0  0  0
M  END

$$$$
D07CMN
  -OEChem-10101305022D

 66 67  0     0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
M  END

$$$$
D07CWH
  -OEChem-04152111252D

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M  END

$$$$
D07DAU
  -OEChem-04152110442D

111119  0     1  0  0  0  0  0999 V2000
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 72 75  2  0  0  0  0
 73 76  1  0  0  0  0
 74 76  2  0  0  0  0
M  END

$$$$
D07DIX
  -OEChem-02041521322D

 29 32  0     1  0  0  0  0  0999 V2000
    2.0000    0.9247    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0047   -1.5267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6957    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047    1.5510    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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  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
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  4 21  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  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 22  1  0  0  0  0
 13 18  1  0  0  0  0
 13 23  1  0  0  0  0
 15 19  2  0  0  0  0
 15 25  1  0  0  0  0
 16 20  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D07DLA
          06080701042D 1   1.00000     0.00000     0

 34 34  0     1  0            999 V2000
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    3.8789   -9.1708    0.0000 C   0  0  0  0  0  0           0  0  0
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 12 13  1  0     0  0
  2  3  1  0     0  0
 10 18  1  0     0  0
  3  4  2  0     0  0
  2  5  1  1     0  0
  5  6  1  0     0  0
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  3  8  1  0     0  0
 18 19  1  0     0  0
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 22 23  1  1     0  0
 22 24  1  0     0  0
  1  2  1  0     0  0
 19 25  1  6     0  0
  8  9  1  0     0  0
 20 26  1  0     0  0
  9 10  1  0     0  0
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 13 14  2  0     0  0
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 30 31  1  0     0  0
 31 32  2  0     0  0
 31 33  1  0     0  0
 17 13  1  0     0  0
 28 34  1  0     0  0
M  END

$$$$
D07DTV
  -OEChem-10121500402D

 42 44  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

$$$$
D07DWF
  -OEChem-04152110512D

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 31 33  2  0  0  0  0
 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

$$$$
D07EBF
  -OEChem-10191523072D

 31 32  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D07EEN
  -OEChem-10111523422D

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 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
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 17 42  1  0  0  0  0
 18 43  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
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
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 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 50  1  0  0  0  0
 31 34  2  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
 32 54  1  0  0  0  0
 33 34  1  0  0  0  0
 34 55  1  0  0  0  0
M  END

$$$$
D07EFM
  -OEChem-10121500002D

 24 24  0     1  0  0  0  0  0999 V2000
    2.8660    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
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  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 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
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  7  8  2  0  0  0  0
  7 10  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
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END

$$$$
D07EHB
  -OEChem-04152110152D

 56 58  0     1  0  0  0  0  0999 V2000
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 20 22  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 27  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

$$$$
D07EHV
  -OEChem-04152111212D

 55 58  0     1  0  0  0  0  0999 V2000
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 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  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 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 42  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 20  2  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  2  0  0  0  0
 23 51  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 52  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 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END

$$$$
D07EJY
          05150902122D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
    7.0706   -7.7569    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6828   -7.4019    0.0000 N   0  0  0  0  0  0           0  0  0
    7.6800   -6.6880    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0688   -6.3372    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4557   -7.4023    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4579   -6.6932    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8458   -6.3383    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2311   -6.6916    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2324   -7.4035    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8450   -7.7551    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6177   -6.3374    0.0000 N   0  0  0  0  0  0           0  0  0
    4.0043   -6.6915    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3908   -6.3373    0.0000 C   0  0  3  0  0  0           0  0  0
    4.0042   -7.3999    0.0000 O   0  0  0  0  0  0           0  0  0
    3.3909   -5.6290    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7774   -6.6914    0.0000 N   0  0  0  0  0  0           0  0  0
    2.1640   -6.3372    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7775   -5.2748    0.0000 C   0  0  3  0  0  0           0  0  0
    2.7815   -4.5693    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1716   -4.2152    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5561   -4.5663    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5543   -5.2755    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1681   -5.6335    0.0000 C   0  0  0  0  0  0           0  0  0
  8 11  1  0     0  0
  5  1  1  0     0  0
 11 12  1  0     0  0
  5  6  1  0     0  0
 12 13  1  0     0  0
  2  3  1  0     0  0
 12 14  2  0     0  0
  6  7  2  0     0  0
 13 15  1  0     0  0
 13 16  1  0     0  0
  7  8  1  0     0  0
 16 17  1  0     0  0
  3  4  2  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
  8  9  2  0     0  0
  4  6  1  0     0  0
  9 10  1  0     0  0
 10  5  2  0     0  0
  1  2  2  0     0  0
 18 23  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
M  END

$$$$
D07EPV
  -OEChem-10101305022D

 60 64  0     1  0  0  0  0  0999 V2000
    2.1045    3.1284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839    4.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650    0.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    3.0821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650   -1.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    3.7866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4740   -3.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650   -3.9956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650    1.5432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8560    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    3.0821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4740    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5310    0.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990    0.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990   -0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5310   -0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    3.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650   -2.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    4.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    2.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560   -3.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650   -3.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4251   -2.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -4.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1682   -3.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330   -1.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1193   -3.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5840   -1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3272   -2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2174    1.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2896    2.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    1.5941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    3.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7840    1.5941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0404    2.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1416   -0.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431    0.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5869    0.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1884   -0.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5294    3.5837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431   -1.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1416   -0.8491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1884   -0.8491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5869   -1.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151    4.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035    5.0666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    2.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    2.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    4.7126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    3.9941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -2.8530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756   -4.4402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2128   -5.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0788   -5.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0393   -4.0111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1722   -1.3425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5800   -3.5105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9168   -1.9259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 17  2  0  0  0  0
  9  3  1  1  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 41  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  6 17  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 18  1  0  0  0  0
  7 24  1  0  0  0  0
  8 23  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  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 17  1  1  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 16  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
 14 39  1  0  0  0  0
 14 40  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
 18 22  2  0  0  0  0
 19 21  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
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  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 28  1  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 30  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END

$$$$
D07FBM
  -OEChem-04152110412D

 49 52  0     1  0  0  0  0  0999 V2000
    4.6783    0.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2315    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -0.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.0976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7619   -1.0976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2619   -0.2315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2619   -0.2315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7619    0.6345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2619   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1419   -1.0976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4519   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5719    0.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9519    0.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4519    1.1714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    2.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6793    1.7126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5719   -2.5005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8819   -1.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719   -0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    1.7126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    2.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    2.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.8946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6905    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 20  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  8  4  1  1  0  0  0
  4 37  1  0  0  0  0
  9  5  1  6  0  0  0
  5 38  1  0  0  0  0
 10  6  1  1  0  0  0
  6 39  1  0  0  0  0
  7 14  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  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
 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 36  1  0  0  0  0
 16 19  2  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  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 20  1  0  0  0  0
 19 43  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  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

$$$$
D07FPR
  -OEChem-04152110572D

 23 24  0     0  0  0  0  0  0999 V2000
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 12 21  1  0  0  0  0
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 13 22  1  0  0  0  0
M  END

$$$$
D07FPY
  -OEChem-10101305032D

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 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D07GCK
  -OEChem-10101305032D

125130  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D07GHV
  -OEChem-04152111262D

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M  END

$$$$
D07GJZ
  -OEChem-04152108562D

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M  END

$$$$
D07HKV
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M  END

$$$$
D07HLS
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M  END

$$$$
D07HOH
  -OEChem-04152111302D

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M  END

$$$$
D07HPJ
  -OEChem-10101305022D

 62 67  0     0  0  0  0  0  0999 V2000
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 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
M  END

$$$$
D07HRU
  -OEChem-10191522552D

 50 52  0     0  0  0  0  0  0999 V2000
    8.9443    0.9725    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.6184   -4.0472    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
 29 50  1  0  0  0  0
M  END

$$$$
D07HYR
          06191001032D 1   1.00000     0.00000     0

 40 41  0     1  0            999 V2000
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 11 15  1  0     0  0
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 22 24  2  0     0  0
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 23 25  1  0     0  0
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 25 26  1  0     0  0
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 38 39  1  0     0  0
 39 40  1  0     0  0
M  END

$$$$
D07HZG
  -OEChem-10191523052D

 50 53  0     1  0  0  0  0  0999 V2000
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 10  4  1  1  0  0  0
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 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D07IEU
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
    9.6762   -3.0719    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 30 41  1  0  0  0  0
 32 42  1  0  0  0  0
M  END

$$$$
D07INL
  -OEChem-04152111362D

120126  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D07IOT
  -OEChem-03141904522D

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M  END

$$$$
D07JAI
  -OEChem-02041520452D

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M  END

$$$$
D07JBE
          04191100542D 1   1.00000     0.00000     0

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   -0.0433   -3.1971    0.0000 C   0  0  0  0  0  0           0  0  0
 13 15  1  0     0  0
  1  2  2  0     0  0
 14 16  1  0     0  0
  7  8  2  0     0  0
 16 17  1  0     0  0
  5  4  2  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 18 19  1  0     0  0
  4  1  1  0     0  0
 19 20  1  0     0  0
  9 10  2  0     0  0
 20 21  1  0     0  0
 10  5  1  0     0  0
 20 22  2  0     0  0
 21 23  1  0     0  0
  7 11  1  0     0  0
 15 24  1  0     0  0
  2  3  1  0     0  0
 15 25  1  0     0  0
 11 12  1  0     0  0
 25 26  1  0     0  0
  5  6  1  0     0  0
 26 27  1  0     0  0
 12 13  1  0     0  0
 27 28  1  0     0  0
  3  6  2  0     0  0
 28 29  1  0     0  0
 13 14  2  0     0  0
 29 30  1  0     0  0
  6  7  1  0     0  0
 29 31  1  0     0  0
M  END

$$$$
D07JLM
          04261000162D 1   1.00000     0.00000     0

 17 17  0     0  0            999 V2000
    7.0250    0.2000    0.0000 N   0  3  0  0  0  0           0  0  0
    6.3167    0.2000    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2458    0.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6750    1.2958    0.0000 S   0  0  0  0  0  0           0  0  0
    7.4417   -0.3708    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1000    0.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1458   -0.3458    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4875    0.2792    0.0000 O   0  0  0  0  0  0           0  0  0
   10.3000   -0.0917    0.0000 Cl  0  5  0  0  0  0           0  0  0
    8.5208   -0.9500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9042   -0.3708    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4250    1.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1792   -1.5667    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2208   -0.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6000   -1.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5417   -2.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2583   -2.1542    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  3  1  0     0  0
  5  1  1  0     0  0
  6  2  2  0     0  0
  7  5  1  0     0  0
  8  7  2  0     0  0
 10  7  1  0     0  0
 11  2  1  0     0  0
 12  6  1  0     0  0
 13 10  1  0     0  0
 14 10  2  0     0  0
 15 14  1  0     0  0
 16 13  2  0     0  0
 17 16  1  0     0  0
  6  4  1  0     0  0
 17 15  2  0     0  0
M  CHG  2   1   1   9  -1
M  END

$$$$
D07JRL
  -OEChem-02041520452D

 49 48  0     1  0  0  0  0  0999 V2000
    6.3301   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.6550    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
    3.7320    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.4142   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 20  2  0  0  0  0
  3 21  2  0  0  0  0
  4 23  1  0  0  0  0
  4 47  1  0  0  0  0
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  5 48  1  0  0  0  0
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  7 24  2  0  0  0  0
  8 27  1  0  0  0  0
  8 49  1  0  0  0  0
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 14 10  1  6  0  0  0
 10 20  1  0  0  0  0
 10 32  1  0  0  0  0
 16 11  1  1  0  0  0
 11 17  1  0  0  0  0
 11 33  1  0  0  0  0
 12 21  1  0  0  0  0
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 12 39  1  0  0  0  0
 22 13  1  1  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 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 31  1  0  0  0  0
 18 23  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 24  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 22 25  1  0  0  0  0
 22 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
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END

$$$$
D07JTD
  -OEChem-04152109332D

 48 51  0     0  0  0  0  0  0999 V2000
    7.1892    0.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7193   -0.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1892   -2.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    2.2442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4407    0.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8304   -3.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0552   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921    1.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5231   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8240   -3.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3909   -2.6431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2 23  1  0  0  0  0
  2 48  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
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  6 11  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 16 17  2  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
 19 25  1  0  0  0  0
 19 35  1  0  0  0  0
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 20 26  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 24  2  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 24  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
 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
M  END

$$$$
D07JVO
  -OEChem-10101305032D

 48 49  0     0  0  0  0  0  0999 V2000
    9.7942    1.6900    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.3100    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
    8.9282    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942    2.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    0.8240    0.0000 O   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
    6.3301    1.6900    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
    5.4641    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D07KBM
  -OEChem-03141904472D

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 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
M  END

$$$$
D07KDI
  -OEChem-10101305032D

 43 44  0     1  0  0  0  0  0999 V2000
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 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
M  END

$$$$
D07KEH
  -OEChem-04152111162D

 32 33  0     0  0  0  0  0  0999 V2000
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  2 31  1  0  0  0  0
  3 16  2  0  0  0  0
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 10 12  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 23  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D07KFB
          07281000062D 1   1.00000     0.00000     0

 29 31  0     0  0            999 V2000
    2.9860   -2.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9849   -3.5982    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.5979   -2.5330    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8852   -2.6651    0.0000 N   0  0  3  0  0  0           0  0  0
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    4.8791   -4.5208    0.0000 C   0  0  0  0  0  0           0  0  0
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 12 14  1  0     0  0
  1  2  2  0     0  0
  9 15  1  0     0  0
  6  4  2  0     0  0
 15 16  1  0     0  0
  5  6  1  0     0  0
  5 17  1  0     0  0
  7  8  1  0     0  0
 17 18  1  0     0  0
  8  9  2  0     0  0
 18 19  2  0     0  0
  9  5  1  0     0  0
 19 20  1  0     0  0
  4  1  1  0     0  0
 20 21  2  0     0  0
  8 10  1  0     0  0
 21 22  1  0     0  0
  6  7  1  0     0  0
 22 23  2  0     0  0
 23 18  1  0     0  0
 10 11  2  0     0  0
  3 24  1  0     0  0
 24 25  1  0     0  0
 10 12  1  0     0  0
 25 26  1  0     0  0
  2  3  1  0     0  0
 26 27  1  0     0  0
 12 13  2  0     0  0
 27 28  1  0     0  0
  3  7  2  0     0  0
 26 29  2  0     0  0
M  END

$$$$
D07KUN
          01180800382D 1   1.00000     0.00000     0

 34 37  0     1  0            999 V2000
   -1.6973    2.3250    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.7852    2.6795    0.0000 C   0  0  0  0  0  0           0  0  0
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  1  7  1  0     0  0
 14 17  2  0     0  0
  2  3  1  0     0  0
 17 18  1  0     0  0
  7  8  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
  8  9  1  0     0  0
 20 21  2  0     0  0
 21 14  1  0     0  0
  3  4  2  0     0  0
 20 22  1  0     0  0
  9 10  1  0     0  0
 22 23  1  0     0  0
 24 17  1  6     0  0
 24 25  1  0     0  0
 10 11  1  0     0  0
  4  5  1  0     0  0
  4 12  1  0     0  0
 24 27  1  0     0  0
 25 29  1  0     0  0
 28 26  1  0     0  0
 26 27  1  0     0  0
  1  2  2  0     0  0
 12 13  1  0     0  0
 28 29  2  0     0  0
  5  6  2  0     0  0
 29 30  1  0     0  0
 13 14  1  0     0  0
 30 31  2  0     0  0
  6  1  1  0     0  0
 31 32  1  0     0  0
 13 15  1  0     0  0
 32 33  2  0     0  0
 33 28  1  0     0  0
 32 34  1  0     0  0
 15 16  1  0     0  0
M  END

$$$$
D07KWN
          06160900362D 1   1.00000     0.00000     0

 25 28  0     1  0            999 V2000
    0.2196    1.4880    0.0000 C   0  0  2  0  0  0           0  0  0
    1.5149    0.7395    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.0802    0.7395    0.0000 C   0  0  1  0  0  0           0  0  0
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    1.5149   -0.7530    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.0802   -0.7530    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.3755    1.4880    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0802    2.2366    0.0000 C   0  0  0  0  0  0           0  0  0
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 12 17  1  0     0  0
 14 18  2  0     0  0
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 20 22  1  0     0  0
 20 23  2  0     0  0
  8 13  1  0     0  0
 11 12  1  0     0  0
 12 14  1  6     0  0
 16 19  1  0     0  0
  1 24  1  1     0  0
  8 25  1  1     0  0
M  END

$$$$
D07KYT
  -OEChem-10101305022D

 72 77  0     0  0  0  0  0  0999 V2000
    9.9538    2.3284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0655    0.7910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D07LAP
  -OEChem-02041520582D

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 64119  1  0  0  0  0
 65120  1  0  0  0  0
M  END

$$$$
D07LPT
  -OEChem-03141904482D

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 29 57  1  0  0  0  0
M  END

$$$$
D07LUJ
  -OEChem-10101305032D

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 33 80  1  0  0  0  0
M  END

$$$$
D07LWK
  -OEChem-10101305032D

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M  END

$$$$
D07LWT
  MDL     03120710482D 1   1.00000     0.00000     0

 43 48  0     1  0            999 V2000
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 40 43  1  0     0  0
M  END

$$$$
D07LYC
          08270900072D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
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 13 14  2  0     0  0
 13 15  1  0     0  0
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 16 17  2  0     0  0
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 18 21  2  0     0  0
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 20 19  2  0     0  0
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 12  7  1  0     0  0
 21  6  1  0     0  0
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 22 23  1  0     0  0
 23 20  1  0     0  0
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 23 24  1  0     0  0
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  7 25  1  0     0  0
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  2 26  1  0     0  0
M  END

$$$$
D07LZH
  -OEChem-04152110432D

 30 32  0     0  0  0  0  0  0999 V2000
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 18 26  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D07MDY
  -OEChem-03141904512D

 54 56  0     0  0  0  0  0  0999 V2000
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 34 37  1  0  0  0  0
 35 36  2  0  0  0  0
 36 54  1  0  0  0  0
M  END

$$$$
D07MED
  -OEChem-04152122332D

 61 65  0     1  0  0  0  0  0999 V2000
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 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

$$$$
D07MEX
          03291100072D 1   1.00000     0.00000     0

 36 36  0     0  0            999 V2000
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   -4.1874    2.3174    0.0000 C   0  0  0  0  0  0           0  0  0
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  6  7  1  0     0  0
 17 18  1  0     0  0
  7 10  1  0     0  0
 18 19  2  0     0  0
 19 14  1  0     0  0
  9  8  1  0     0  0
 17 20  1  0     0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
 12 22  1  0     0  0
  3  4  1  0     0  0
 22 23  1  0     0  0
  4  6  1  0     0  0
 23 24  1  0     0  0
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  9 13  1  0     0  0
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 10 11  1  0     0  0
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 11 21  1  0     0  0
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  5  1  1  0     0  0
 31 34  1  0     0  0
 15 16  1  0     0  0
 27 35  2  0     0  0
  5  8  1  0     0  0
 27 36  1  0     0  0
 16 17  2  0     0  0
M  CHG  2  31   1  36  -1
M  END

$$$$
D07MKL
  -OEChem-10191523062D

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 44100  1  0  0  0  0
 44101  1  0  0  0  0
 45102  1  0  0  0  0
 45103  1  0  0  0  0
 45104  1  0  0  0  0
 46105  1  0  0  0  0
 46106  1  0  0  0  0
 46107  1  0  0  0  0
 47108  1  0  0  0  0
 47109  1  0  0  0  0
 47110  1  0  0  0  0
 48111  1  0  0  0  0
 48112  1  0  0  0  0
 48113  1  0  0  0  0
 49114  1  0  0  0  0
 49115  1  0  0  0  0
 49116  1  0  0  0  0
M  END

$$$$
D07MME
          07301100302D 1   1.00000     0.00000     0

 47 50  0     1  0            999 V2000
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   -1.2552   -0.3552    0.0000 C   0  0  1  0  0  0           0  0  0
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    0.2448   -0.1966    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9655    0.0586    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.2552   -1.1862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2448    1.1414    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.2552    1.2966    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5345    1.7103    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7276    0.4724    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.6862   -0.3552    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.9655    0.8828    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.9724   -0.7000    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.9655   -1.6000    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.6862   -1.1862    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3931    0.0586    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.0931   -1.2931    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3759   -1.7034    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3759   -2.5103    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6552   -2.9276    0.0000 C   0  0  0  0  0  0           0  0  0
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  1  2  1  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  1  0     0  0
  3  9  1  1     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  5 13  1  6     0  0
  6 14  1  0     0  0
  7 15  1  1     0  0
  7 16  1  0     0  0
 10 17  1  6     0  0
 11 18  1  0     0  0
 11 19  1  0     0  0
 11 20  1  1     0  0
 12 21  1  1     0  0
 15 22  1  0     0  0
 15 23  2  0     0  0
 18 24  2  0     0  0
 19 25  2  0     0  0
 22 26  1  0     0  0
 24 27  1  0     0  0
 26 28  1  0     0  0
 27 29  2  0     0  0
 28 30  1  0     0  0
 28 31  2  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  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 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  0     0  0
  7 10  1  0     0  0
  8 12  1  0     0  0
 14 18  1  0     0  0
 25 27  1  0     0  0
  1 46  1  6     0  0
  2 47  1  1     0  0
M  END

$$$$
D07MON
  -OEChem-10111523592D

 72 76  0     1  0  0  0  0  0999 V2000
    8.7010    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4541    0.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -3.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0622   -0.9509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0084    0.3538    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -1.4509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8184    0.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2122   -2.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4201   -1.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142   -3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4121   -2.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7313    0.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4933   -0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4767   -3.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454   -1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5413    1.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1521   -1.7961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9355   -1.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574   -1.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5458   -1.5649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0529   -0.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0529   -0.0362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    1.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    1.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    1.4536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3732    1.3717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4302   -3.0728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8214   -2.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169   -3.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7151   -3.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167    1.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3837    0.0185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1765    0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015   -0.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034   -0.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4791   -3.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3408   -0.8363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9338   -1.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8889    1.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0961    1.5497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9564    1.0735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  6  0  0  0
  1 52  1  0  0  0  0
  2 27  1  0  0  0  0
  2 66  1  0  0  0  0
  3 28  2  0  0  0  0
  4 31  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  9  1  0  0  0  0
  5 14  1  6  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 34  1  6  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
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  8 16  1  0  0  0  0
  8 35  1  1  0  0  0
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 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
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 11 40  1  0  0  0  0
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 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 21  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  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 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 23  2  0  0  0  0
 21 27  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  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 28  1  0  0  0  0
 23 57  1  0  0  0  0
 24 28  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 29  1  0  0  0  0
 25 60  1  0  0  0  0
 26 30  2  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 29 31  2  0  0  0  0
 29 64  1  0  0  0  0
 30 31  1  0  0  0  0
 30 65  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
M  END

$$$$
D07MPL
  -OEChem-10101305022D

 67 70  0     0  0  0  0  0  0999 V2000
   10.1706    4.0541    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104    2.7929    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9094    3.4142    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209   -2.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7370    3.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -3.7160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1241   -4.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8349   -2.8461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5492    0.5436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1329    1.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7704   -3.4647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -3.3036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8564   -2.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7370    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5492    2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8599   -0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4812   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8384   -0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8599    3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1491   -1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7919   -3.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -2.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0490   -3.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5663   -1.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7068   -1.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1895   -3.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985   -0.9079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6589    2.4309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2604    1.7406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2525   -0.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7558   -1.6916    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
  2 33  1  0  0  0  0
  3 33  1  0  0  0  0
  4 18  1  0  0  0  0
  4 35  1  0  0  0  0
  5 26  2  0  0  0  0
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  8 14  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
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 12 67  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  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 19  1  0  0  0  0
 16 41  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
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  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 23  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  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
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 27 33  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 30  2  0  0  0  0
 29 32  1  0  0  0  0
 30 59  1  0  0  0  0
 31 34  1  0  0  0  0
 31 36  1  0  0  0  0
 32 34  2  0  0  0  0
 32 60  1  0  0  0  0
 34 61  1  0  0  0  0
 35 37  1  0  0  0  0
 37 62  1  0  0  0  0
 37 63  1  0  0  0  0
M  END

$$$$
D07MXF
          01240519512D 1   1.00000     0.00000     0

 29 33  0     0  0            999 V2000
    2.1167   -2.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1167   -1.6458    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3417   -1.6375    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7333   -2.7083    0.0000 N   0  0  3  0  0  0           0  0  0
    1.5042   -2.7125    0.0000 N   0  0  0  0  0  0           0  0  0
    0.2792   -2.7125    0.0000 N   0  0  3  0  0  0           0  0  0
    2.7250   -1.2875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8917   -2.3583    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3458   -2.3500    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6500   -3.3833    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.8708   -2.7125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5042   -1.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7375   -3.4167    0.0000 C   0  0  3  0  0  0           0  0  0
    3.9542   -1.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8917   -1.6500    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0583   -3.3833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2958   -2.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3833   -4.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0917   -4.0292    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4875   -2.3542    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.3583   -4.0917    0.0000 N   0  0  0  0  0  0           0  0  0
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    3.9458   -0.5708    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3583   -3.3833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6500   -4.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2792   -1.2917    0.0000 F   0  0  0  0  0  0           0  0  0
    4.5667   -1.6292    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.1042   -2.7125    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.7167   -2.3583    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  9  2  0     0  0
  4  1  1  0     0  0
  5  1  2  0     0  0
  6  8  1  0     0  0
  7  2  1  0     0  0
  8  5  1  0     0  0
  9  4  1  0     0  0
 10 16  1  0     0  0
 11 17  1  0     0  0
 12  2  2  0     0  0
 13  4  1  0     0  0
 14  3  1  0     0  0
 15  8  2  0     0  0
 16  6  1  0     0  0
 17  6  1  0     0  0
 18 13  1  0     0  0
 19 13  1  0     0  0
 20 11  2  0     0  0
 21 25  1  0     0  0
 22  7  2  0     0  0
 23 14  2  0     0  0
 24 10  1  0     0  0
 25 10  1  0     0  0
 26 15  1  0     0  0
 27 14  1  0     0  0
 28 20  1  0     0  0
 29 28  1  0     0  0
  7  3  1  0     0  0
 15 12  1  0     0  0
 18 19  1  0     0  0
 10 11  1  0     0  0
 21 24  1  0     0  0
M  END

$$$$
D07NCV
          01191000492D 1   1.00000     0.00000     0

 12 13  0     0  0            999 V2000
    6.1417   -2.1292    0.0000 N   0  0  0  0  0  0           0  0  0
    5.5250   -1.7667    0.0000 Se  0  0  0  0  0  0           0  0  0
    4.9042   -2.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5167   -3.2042    0.0000 C   0  0  3  0  0  0           0  0  0
    4.9042   -2.1250    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1417   -2.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1625   -3.8250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8667   -3.8250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2917   -3.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2917   -1.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6792   -2.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6792   -2.1375    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  2  1  0     0  0
  6  1  1  0     0  0
  7  4  1  0     0  0
  8  4  1  0     0  0
  9  3  1  0     0  0
 10  5  1  0     0  0
 11  9  2  0     0  0
 12 10  2  0     0  0
  5  3  2  0     0  0
 12 11  1  0     0  0
M  END

$$$$
D07NFW
  -OEChem-10101305032D

 60 62  0     1  0  0  0  0  0999 V2000
    5.1350    4.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    5.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    3.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -2.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5380    0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -1.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    4.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    5.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    5.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.8730    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 10  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 34  1  0  0  0  0
 14  4  1  1  0  0  0
  4 50  1  0  0  0  0
  5 27  1  0  0  0  0
  5 34  1  0  0  0  0
  6 29  1  0  0  0  0
  6 59  1  0  0  0  0
 11  9  1  1  0  0  0
  9 13  1  0  0  0  0
  9 40  1  0  0  0  0
 10 24  1  0  0  0  0
 10 54  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 35  1  0  0  0  0
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 12 36  1  0  0  0  0
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 13 14  1  0  0  0  0
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 13 39  1  0  0  0  0
 14 17  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  2  0  0  0  0
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 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 25  1  0  0  0  0
 18 42  1  0  0  0  0
 19 26  2  0  0  0  0
 19 43  1  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 21 28  2  0  0  0  0
 21 45  1  0  0  0  0
 22 30  1  0  0  0  0
 22 46  1  0  0  0  0
 23 31  2  0  0  0  0
 23 47  1  0  0  0  0
 24 29  2  0  0  0  0
 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
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 30 32  2  0  0  0  0
 30 52  1  0  0  0  0
 31 32  1  0  0  0  0
 31 53  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
 34 60  1  0  0  0  0
M  END

$$$$
D07NOI
  -OEChem-10101305032D

 45 48  0     0  0  0  0  0  0999 V2000
    2.0000    5.5000    0.0000 Cl  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
    7.2764    0.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5000    0.0000 O   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
    4.5981    2.0000    0.0000 N   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
    4.5981   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.0000    0.0000 N   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
    6.3301    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
    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
    7.2764    2.3047    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
    4.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    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
    3.7320   -2.5000    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    5.0000    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
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.5000    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
    2.8660    5.0000    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
    7.1962   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    2.8940    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
    8.4800    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1900    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
    5.1350    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  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 18  1  0  0  0  0
  4 28  2  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 21  2  0  0  0  0
  8 24  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  2  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
 14 16  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 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  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 24  2  0  0  0  0
 20 36  1  0  0  0  0
 21 28  1  0  0  0  0
 22 25  1  0  0  0  0
 22 37  1  0  0  0  0
 23 26  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 27  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  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

$$$$
D07NPS
  -OEChem-10101305022D

 56 60  0     1  0  0  0  0  0999 V2000
    2.4487    3.2493    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1741   -3.2292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7109    1.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.7093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -1.0808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    1.8198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.2148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3147    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487    0.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407   -0.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487    0.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -1.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292    2.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0574   -1.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7893   -1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -2.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7778   -2.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9060   -3.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    1.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -1.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5687   -1.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.4052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.2984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0687    1.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6387    0.1143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3825   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064   -2.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6820   -2.7933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362   -1.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5491    2.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9220    3.4397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    2.8126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    2.9202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8287    1.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3298   -1.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3111   -3.0755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8989   -3.8692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 32  1  0  0  0  0
  3 22  2  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  4 25  1  0  0  0  0
  8  5  1  6  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 14  1  0  0  0  0
  6 22  1  0  0  0  0
  6 26  1  0  0  0  0
  7 18  1  0  0  0  0
  7 23  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 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 15 36  1  0  0  0  0
 16 21  2  0  0  0  0
 16 24  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 27  1  0  0  0  0
 19 41  1  0  0  0  0
 20 28  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
 24 30  2  0  0  0  0
 24 31  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 48  1  0  0  0  0
 26 49  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 29  1  0  0  0  0
 28 52  1  0  0  0  0
 30 32  1  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 34  2  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

$$$$
D07NTC
          06241100472D 1   1.00000     0.00000     0

 38 40  0     1  0            999 V2000
   -1.8069   -0.0310    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4241   -0.3897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8103    0.6759    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1966   -0.3897    0.0000 N   0  0  3  0  0  0           0  0  0
   -3.0345   -0.0345    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4207   -1.0966    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1966    1.0276    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4172    1.0276    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5862   -0.0345    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2000   -1.0966    0.0000 C   0  0  2  0  0  0           0  0  0
   -3.6483   -0.3862    0.0000 N   0  0  3  0  0  0           0  0  0
   -3.0345    0.6724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8103   -1.4517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5828    0.6759    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2000    1.7379    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5828   -1.4552    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6483   -1.0931    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2586   -0.0310    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6552    1.0345    0.0000 F   0  0  0  0  0  0           0  0  0
    0.0310    1.0379    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2552   -1.4483    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.8759   -0.3862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6483    0.6828    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0276    1.7414    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.8759   -1.0931    0.0000 C   0  0  3  0  0  0           0  0  0
   -5.4966   -1.4517    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9448    0.0724    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9414   -0.6379    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3345    0.4241    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5517   -0.9897    0.0000 C   0  0  1  0  0  0           0  0  0
    4.3345    1.1345    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1621   -0.6379    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5517   -1.7000    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7207    1.4862    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7793   -0.9931    0.0000 O   0  0  0  0  0  0           0  0  0
    6.1621    0.0724    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1103    1.1345    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7207    2.1966    0.0000 N   0  0  0  0  0  0           0  0  0
 10 13  1  0     0  0
 22 25  1  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  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  2  0     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  7 15  2  0     0  0
 10 16  1  1     0  0
 11 17  1  0     0  0
 11 18  1  0     0  0
 12 19  1  0     0  0
 14 20  1  0     0  0
 17 21  1  0     0  0
 18 22  1  0     0  0
 20 23  1  0     0  0
 20 24  2  0     0  0
 21 25  1  0     0  0
 25 26  1  0     0  0
  8 12  1  0     0  0
  9 14  2  0     0  0
 27 28  1  0     0  0
 27 29  1  0     0  0
 30 28  1  1     0  0
 29 31  1  0     0  0
 30 32  1  0     0  0
 30 33  1  0     0  0
 31 34  1  0     0  0
 32 35  1  0     0  0
 32 36  2  0     0  0
 34 37  1  0     0  0
 34 38  2  0     0  0
M  END

$$$$
D07NUL
  -OEChem-04152111322D

 46 48  0     1  0  0  0  0  0999 V2000
    6.0802   -4.0822    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -0.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2557   -4.1074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9973   -2.3442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1951   -1.7471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 11  1  1  1  0  0  0
  2 13  1  0  0  0  0
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 13 33  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
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 19 38  1  0  0  0  0
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 20 39  1  0  0  0  0
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 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 23 25  1  0  0  0  0
 24 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

$$$$
D07NVI
  -OEChem-10101305022D

 54 55  0     1  0  0  0  0  0999 V2000
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    2.8660    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 O   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
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    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    1.7500    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    2.7500    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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 11 15  1  0  0  0  0
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 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
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 16 21  2  0  0  0  0
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 17 19  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
 19 23  2  0  0  0  0
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 20 23  1  0  0  0  0
 20 47  1  0  0  0  0
 21 24  1  0  0  0  0
 21 48  1  0  0  0  0
 22 25  2  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  2  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
 26 54  1  0  0  0  0
M  END

$$$$
D07OCV
          02111000292D 1   1.00000     0.00000     0

 29 32  0     1  0            999 V2000
    4.4291   -4.0875    0.0000 C   0  0  2  0  0  0           0  0  0
    4.4291   -4.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1412   -5.3291    0.0000 C   0  0  2  0  0  0           0  0  0
    5.8574   -4.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8574   -4.0875    0.0000 N   0  0  0  0  0  0           0  0  0
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    1.5528   -4.0958    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5516   -4.9274    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2705   -5.3443    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9912   -4.9269    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9883   -4.0922    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2687   -3.6830    0.0000 C   0  0  0  0  0  0           0  0  0
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  5  6  1  0     0  0
  6 14  2  0     0  0
  9 15  1  0     0  0
  3 16  1  6     0  0
  7  8  2  0     0  0
 16 17  2  0     0  0
  1  2  1  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 18 19  2  0     0  0
  1  6  1  0     0  0
 19 20  1  0     0  0
  9 10  2  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
  2  3  1  0     0  0
 19 22  1  0     0  0
 10 11  1  0     0  0
 18 23  1  0     0  0
  3  4  1  0     0  0
 22 24  1  0     0  0
 11 12  2  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 12  7  1  0     0  0
  4  5  1  0     0  0
 11 13  1  0     0  0
  1 13  1  1     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 25  1  0     0  0
M  END

$$$$
D07OFM
  -OEChem-10191523092D

 52 55  0     1  0  0  0  0  0999 V2000
    4.3376    3.7358    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.6874   -3.2201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9412    0.7507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D07OHT
  -OEChem-04152111212D

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M  END

$$$$
D07OIO
  -OEChem-10111523202D

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   11.5542    2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  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
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  9 33  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 37  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
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 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  2  0  0  0  0
 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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 25 28  1  0  0  0  0
 25 47  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  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

$$$$
D07OSS
          01220517262D 1   1.00000     0.00000     0

 22 23  0     0  0            999 V2000
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   11.4583   -4.2458    0.0000 O   0  0  0  0  0  0           0  0  0
   10.8417   -5.3083    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.5458   -7.8125    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  8  2  0     0  0
  5  4  1  0     0  0
  6  2  1  0     0  0
  7  9  1  0     0  0
  8 10  1  0     0  0
  9  6  2  0     0  0
 10  7  2  0     0  0
 11  3  2  0     0  0
 12  5  2  0     0  0
 13  5  1  0     0  0
 14  1  1  0     0  0
 15 14  1  0     0  0
 16  3  1  0     0  0
 17 11  1  0     0  0
 18  6  1  0     0  0
 19  8  1  0     0  0
 20 11  1  0     0  0
 21 16  2  0     0  0
 22 21  1  0     0  0
 17 15  1  0     0  0
 22 20  2  0     0  0
M  END

$$$$
D07OZR
  -OEChem-04152110502D

 65 67  0     1  0  0  0  0  0999 V2000
    4.5370    3.6892    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0174    0.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8074   12.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0672    6.0521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0672    6.8492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292    7.8727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0553    8.4927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7123    3.8526    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 22  1  0  0  0  0
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 13 15  1  0  0  0  0
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 19 48  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 49  1  0  0  0  0
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 23 50  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 27  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
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 53  1  0  0  0  0
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 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  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

$$$$
D07PEH
  -OEChem-04152111222D

 62 66  0     0  0  0  0  0  0999 V2000
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D07PNT
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D07PQJ
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 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
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 33 34  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  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
M  END

$$$$
D07PRC
  -OEChem-04152110362D

 52 54  0     1  0  0  0  0  0999 V2000
   13.2880   -2.6983    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    2.5476    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4219   -3.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7971   -0.8664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.0088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1540   -2.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7880   -1.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8488   -3.9230    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  7  2  0  0  0  0
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 28 30  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 33  1  0  0  0  0
 31 47  1  0  0  0  0
 32 34  2  0  0  0  0
 32 48  1  0  0  0  0
 33 34  1  0  0  0  0
M  END

$$$$
D07PTH
          02091100062D 1   1.00000     0.00000     0

 22 22  0     0  0            999 V2000
    2.8500   -2.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4750   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8417   -3.4917    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  1  1  0     0  0
  5  2  2  0     0  0
  6  9  2  0     0  0
  7  6  1  0     0  0
  8 12  1  0     0  0
  9 11  1  0     0  0
 10  5  1  0     0  0
 11  8  2  0     0  0
 12 10  2  0     0  0
 13  7  2  0     0  0
 14  7  1  0     0  0
 15  3  1  0     0  0
 16  4  1  0     0  0
 17  3  1  0     0  0
 18  4  1  0     0  0
 19  4  1  0     0  0
 20 16  1  0     0  0
 21  9  1  0     0  0
 22 10  1  0     0  0
 20 15  1  0     0  0
M  END

$$$$
D07PVB
  -OEChem-10101305032D

108111  0     1  0  0  0  0  0999 V2000
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   20.3310    4.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5381   -3.0629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7235   -0.5406    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8574   -2.0406    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D07PXQ
  -OEChem-08301509462D

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 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  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 24  1  0  0  0  0
 20 23  2  0  0  0  0
 20 25  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 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 54  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 56  1  0  0  0  0
 29 31  2  0  0  0  0
 29 57  1  0  0  0  0
 30 32  2  0  0  0  0
 30 58  1  0  0  0  0
 31 32  1  0  0  0  0
 31 59  1  0  0  0  0
 32 33  1  0  0  0  0
 34 60  1  0  0  0  0
M  END

$$$$
D07QAF
  SciTegic10311316322D

 44 50  0  0  0  0            999 V2000
   10.5119   -2.1442    0.0000 C   0  0
   11.0898   -1.5620    0.0000 C   0  0
   10.5079   -0.9841    0.0000 C   0  0
    9.9301   -1.5661    0.0000 C   0  0
    3.6897   -3.6829    0.0000 C   0  0
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    4.9120   -2.9796    0.0000 C   0  0
    4.5046   -2.2735    0.0000 N   0  0
    3.6861   -2.2763    0.0000 C   0  0
    3.2829   -2.9814    0.0000 C   0  0
    5.7293   -2.9760    0.0000 C   0  0
    6.2086   -3.6382    0.0000 C   0  0
    6.2068   -2.3169    0.0000 N   0  0
    6.9857   -2.5674    0.0000 C   0  0
    6.9848   -3.3825    0.0000 C   0  0
    7.6893   -3.7891    0.0000 C   0  0
    8.3950   -3.3815    0.0000 C   0  0
    8.3919   -2.5633    0.0000 C   0  0
    7.6869   -2.1604    0.0000 C   0  0
    5.9526   -1.5402    0.0000 C   0  0
    2.4657   -2.9838    0.0000 Br  0  0
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    9.0945   -1.3346    0.0000 O   0  0
   11.1862   -2.6095    0.0000 C   0  0
   11.2073   -3.4316    0.0000 N   0  0
   11.9579   -2.3400    0.0000 N   0  0
   12.4581   -2.9901    0.0000 C   0  0
   11.9914   -3.6621    0.0000 C   0  0
   12.3401   -4.4001    0.0000 C   0  0
   13.1553   -4.4674    0.0000 C   0  0
   13.6206   -3.7906    0.0000 C   0  0
   13.2692   -3.0553    0.0000 C   0  0
   12.1911   -1.5568    0.0000 C   0  0
   14.4378   -3.7958    0.0000 C   0  0
   14.8419   -4.5060    0.0000 C   0  0
   15.6591   -4.5112    0.0000 C   0  0
   16.0632   -5.2215    0.0000 O   0  0
   16.0721   -3.8061    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  1  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 12 15  1  0
 11 12  2  0
 14 13  1  0
 13 11  1  0
  7 11  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 13 20  1  0
 10 21  1  0
 12 22  1  0
 23 24  1  0
 22 23  1  0
 24 25  1  0
 25 26  1  0
 26 22  1  0
 18 27  1  0
 27 28  1  0
 27 29  2  0
 28  1  1  0
  1 30  1  0
 31 34  1  0
 30 31  2  0
 33 32  1  0
 32 30  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 32 39  1  0
 37 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
M  END

$$$$
D07QAK
  -OEChem-10101305032D

 58 58  0     1  0  0  0  0  0999 V2000
    1.7690    5.0758    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    3.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4176    8.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2837   10.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6856    9.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0157    9.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5516   10.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1497    8.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.4600    4.1247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    5.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5516    9.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1497    9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7456    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    2.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7575    5.3924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26  3  1  1  0  0  0
  3 55  1  0  0  0  0
 27  4  1  1  0  0  0
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 10 18  2  0  0  0  0
 11 24  2  0  0  0  0
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 13 15  1  0  0  0  0
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 15 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 24  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
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 22 47  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
 25 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 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

$$$$
D07QFU
          01210517082D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
    4.2375   -3.3750    0.0000 S   0  0  3  0  0  0           0  0  0
    3.6250   -3.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0125   -3.3792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6250   -4.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4000   -3.7375    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0125   -4.8000    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.0667   -2.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4417   -1.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0542   -1.6000    0.0000 N   0  0  0  0  0  0           0  0  0
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    3.8792   -2.7542    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.0167   -5.5042    0.0000 F   0  0  0  0  0  0           0  0  0
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    7.2917   -2.3042    0.0000 O   0  0  0  0  0  0           0  0  0
    7.9125   -2.6542    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  2  1  0     0  0
  5  3  1  0     0  0
  6  4  2  0     0  0
  7  6  1  0     0  0
  8  1  1  0     0  0
  9 14  2  0     0  0
 10 11  1  0     0  0
 11  9  1  0     0  0
 12  1  2  0     0  0
 13  1  2  0     0  0
 14 15  1  0     0  0
 15  8  1  0     0  0
 16 23  2  0     0  0
 17  4  1  0     0  0
 18  3  1  0     0  0
 19 10  2  0     0  0
 20  5  1  0     0  0
 21  6  1  0     0  0
 22  7  1  0     0  0
 23 25  1  0     0  0
 24 10  1  0     0  0
 25 15  2  0     0  0
 26 16  1  0     0  0
 27 26  1  0     0  0
  5  7  2  0     0  0
 16  9  1  0     0  0
M  END

$$$$
D07QHF
  -OEChem-04152111172D

 56 60  0     0  0  0  0  0  0999 V2000
    7.1502    0.3196    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602    2.9933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5322    0.3196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752   -4.7682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3090    6.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    6.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    7.7682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    7.1804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412   -1.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2072   -1.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2072   -2.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8412    1.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D07QIT
          01220800062D 1   1.00000     0.00000     0

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 31 35  1  0     0  0
M  END

$$$$
D07QJK
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M  END

$$$$
D07QKK
  -OEChem-10101305022D

  1  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
M  CHG  1   1  -1
M  END

$$$$
D07QQP
  -OEChem-04152109392D

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  4 19  1  0  0  0  0
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  4 28  1  0  0  0  0
  4 29  2  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 40  1  0  0  0  0
 10 42  1  0  0  0  0
 35 11  1  1  0  0  0
 11 66  1  0  0  0  0
 36 12  1  1  0  0  0
 12 67  1  0  0  0  0
 39 13  1  6  0  0  0
 13 69  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  2  0  0  0  0
 18 48  2  0  0  0  0
 22 50  2  0  0  0  0
 38 30  1  6  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 42 31  1  1  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
 32 45  1  0  0  0  0
 32 50  1  0  0  0  0
 32 71  1  0  0  0  0
 33 48  1  0  0  0  0
 33 52  2  0  0  0  0
 34 52  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 53  1  0  0  0  0
 36 38  1  0  0  0  0
 36 54  1  0  0  0  0
 37 43  1  6  0  0  0
 37 55  1  0  0  0  0
 38 56  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 57  1  0  0  0  0
 40 44  1  1  0  0  0
 40 58  1  0  0  0  0
 41 42  1  0  0  0  0
 41 59  1  0  0  0  0
 41 60  1  0  0  0  0
 42 61  1  0  0  0  0
 43 62  1  0  0  0  0
 43 63  1  0  0  0  0
 44 64  1  0  0  0  0
 44 65  1  0  0  0  0
 46 49  2  0  0  0  0
 46 68  1  0  0  0  0
 47 51  2  0  0  0  0
 47 70  1  0  0  0  0
 49 50  1  0  0  0  0
 49 72  1  0  0  0  0
 51 52  1  0  0  0  0
 51 73  1  0  0  0  0
M  CHG  8   5   1   6   1   7   1   8   1  20  -1  23  -1  26  -1  28  -1
M  END

$$$$
D07QTG
  -OEChem-10191521152D

 67 71  0     0  0  0  0  0  0999 V2000
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    2.0000   -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  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533   -2.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5108   -1.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8205   -1.5234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -1.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -0.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -0.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -1.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3456   -4.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0359   -4.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032   -3.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032   -2.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    0.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    0.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6 19  1  0  0  0  0
  6 54  1  0  0  0  0
  7 26  1  0  0  0  0
  7 29  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 14  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  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 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 16  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 17  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 55  1  0  0  0  0
 21 24  2  0  0  0  0
 21 56  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 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
 27 28  2  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
 29 62  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 63  1  0  0  0  0
 32 34  2  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
M  END

$$$$
D07QWW
  -OEChem-04152110122D

 54 57  0     1  0  0  0  0  0999 V2000
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  1 24  1  0  0  0  0
  2 28  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 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 18  2  0  0  0  0
  6 14  2  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  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
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  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 16  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
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 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 40  1  0  0  0  0
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 17 42  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 43  1  0  0  0  0
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 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 24  2  0  0  0  0
 22 25  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 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 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

$$$$
D07QXU
  -OEChem-04152109492D

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 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END

$$$$
D07RKN
  -OEChem-04152111112D

 63 65  0     1  0  0  0  0  0999 V2000
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 17  7  1  6  0  0  0
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 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END

$$$$
D07SDQ
  -OEChem-10121501042D

 47 48  0     0  0  0  0  0  0999 V2000
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 17 35  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
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 22 37  1  0  0  0  0
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 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 47  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
M  END

$$$$
D07SMH
  -OEChem-10101305032D

 78 82  0     1  0  0  0  0  0999 V2000
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 27 32  1  0  0  0  0
 27 61  1  0  0  0  0
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 28 63  1  0  0  0  0
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 29 67  1  0  0  0  0
 29 70  1  0  0  0  0
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 30 64  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 32 33  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 39  2  0  0  0  0
 36 73  1  0  0  0  0
 37 38  2  0  0  0  0
 37 74  1  0  0  0  0
 38 39  1  0  0  0  0
 39 75  1  0  0  0  0
 40 76  1  0  0  0  0
 40 77  1  0  0  0  0
 40 78  1  0  0  0  0
M  END

$$$$
D07TAS
  -OEChem-02041521362D

 38 39  0     0  0  0  0  0  0999 V2000
    6.4103   -1.6922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7727    0.0065    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.7210    0.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -1.7535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0817   -0.9445    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.0817   -2.5626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0328   -1.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0328   -2.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 25  1  0  0  0  0
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 16 26  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 30  1  0  0  0  0
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 20 28  1  0  0  0  0
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 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  CHG  2   2   1   7  -1
M  END

$$$$
D07TDV
  -OEChem-04152111132D

 95 96  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D07TEP
  -OEChem-10191522572D

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M  END

$$$$
D07TQN
  -OEChem-10101305022D

 61 64  0     1  0  0  0  0  0999 V2000
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    6.7041    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5233    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8381    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.7041   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1682   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1682    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  1  1  6  0  0  0
  1 42  1  0  0  0  0
  2 12  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
 10  4  1  6  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 32  1  0  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  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 18  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
 14 46  1  0  0  0  0
 15 19  1  0  0  0  0
 15 47  1  0  0  0  0
 16 20  2  0  0  0  0
 16 48  1  0  0  0  0
 17 22  2  0  0  0  0
 17 24  1  0  0  0  0
 18 23  2  0  0  0  0
 18 25  1  0  0  0  0
 19 21  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 26  1  0  0  0  0
 22 53  1  0  0  0  0
 23 27  1  0  0  0  0
 23 52  1  0  0  0  0
 24 29  2  0  0  0  0
 24 54  1  0  0  0  0
 25 28  2  0  0  0  0
 25 55  1  0  0  0  0
 26 31  2  0  0  0  0
 26 57  1  0  0  0  0
 27 30  2  0  0  0  0
 27 56  1  0  0  0  0
 28 30  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 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END

$$$$
D07TRP
  -OEChem-04152111132D

 42 47  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9166   -0.6904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959   -3.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5227    0.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8857    2.3161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1418    3.3230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278   -1.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1258    0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2598    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8330   -2.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9918    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2598    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2329   -2.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6948   -1.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
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 20 25  2  0  0  0  0
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 26 28  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  END

$$$$
D07TSW
  -OEChem-10101305032D

 38 38  0     1  0  0  0  0  0999 V2000
    5.0929   -1.0429    0.0000 S   0  3  3  0  0  0  0  0  0  0  0  0
    6.8249    2.9571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1807   -3.3907    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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 13  3  1  6  0  0  0
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 14  4  1  1  0  0  0
  4 33  1  0  0  0  0
  5 17  1  0  0  0  0
  5 36  1  0  0  0  0
 18  6  1  6  0  0  0
  6 37  1  0  0  0  0
 19  7  1  6  0  0  0
  8 20  1  0  0  0  0
  8 38  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
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 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
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 17 28  1  0  0  0  0
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 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  CHG  2   1   1   9  -1
M  END

$$$$
D07TWK
  -OEChem-10101305022D

 44 47  0     1  0  0  0  0  0999 V2000
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 15  9  1  6  0  0  0
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 27 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  END

$$$$
D07TXJ
  -OEChem-10101305022D

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 28 54  1  0  0  0  0
M  END

$$$$
D07TYE
  -OEChem-04152111372D

112118  0     1  0  0  0  0  0999 V2000
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   10.1255    4.0698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0920    6.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    7.5442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8520    6.9266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
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 40 44  1  0  0  0  0
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 40 86  1  0  0  0  0
 41 42  1  0  0  0  0
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 42 50  1  0  0  0  0
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 44 45  1  0  0  0  0
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 45 51  1  0  0  0  0
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 47 52  1  0  0  0  0
 48 96  1  0  0  0  0
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 48 98  1  0  0  0  0
 49 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 53  1  0  0  0  0
 51105  1  0  0  0  0
 51106  1  0  0  0  0
 52 53  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  2  0  0  0  0
 56107  1  0  0  0  0
 57 59  2  0  0  0  0
 57108  1  0  0  0  0
 58 59  1  0  0  0  0
 59109  1  0  0  0  0
 60110  1  0  0  0  0
 60111  1  0  0  0  0
 60112  1  0  0  0  0
M  END

$$$$
D07TZT
  -OEChem-04152109232D

 43 45  0     0  0  0  0  0  0999 V2000
    2.0000    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3100    0.0000 O   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
    5.4641    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  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8100    0.0000 N   0  3  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
    4.5981    2.1900    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
    4.5981   -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
    4.5981    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    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
    5.4641   -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
    4.5981   -2.8100    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
    3.7320    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6900    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
    8.0622    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  1 42  1  0  0  0  0
  2 29  1  0  0  0  0
  2 43  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
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 34  1  0  0  0  0
  8 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  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 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 24  1  0  0  0  0
 16 30  1  0  0  0  0
 17 25  1  0  0  0  0
 17 31  1  0  0  0  0
 18 26  2  0  0  0  0
 18 32  1  0  0  0  0
 19 27  2  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 23 37  1  0  0  0  0
 24 28  2  0  0  0  0
 24 38  1  0  0  0  0
 25 29  2  0  0  0  0
 25 39  1  0  0  0  0
 26 28  1  0  0  0  0
 26 40  1  0  0  0  0
 27 29  1  0  0  0  0
 27 41  1  0  0  0  0
M  CHG  4   3  -1   5  -1   9   1  10   1
M  END

$$$$
D07UGA
  -OEChem-10121502012D

 63 62  0     1  0  0  0  0  0999 V2000
   18.4545   -0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9545    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9545   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.2500    0.0000 N   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
    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
    9.7942   -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
   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
   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
   12.3923    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
   13.2583   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8564    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1244    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
   16.7224   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -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
    9.3267    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    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
    6.7287   -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
    5.8626    0.7249    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
   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
    4.1996   -0.7249    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
 25 58  1  0  0  0  0
M  END

$$$$
D07UHX
  -OEChem-02041521262D

 44 48  0     1  0  0  0  0  0999 V2000
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 26 27  2  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END

$$$$
D07UIS
  -OEChem-03141904472D

 64 69  0     1  0  0  0  0  0999 V2000
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 41 62  1  0  0  0  0
 41 63  1  0  0  0  0
 41 64  1  0  0  0  0
M  END

$$$$
D07UJA
  -OEChem-04152111262D

 74 79  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D07URD
  -OEChem-04152111322D

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 37 39  1  0  0  0  0
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 37 75  1  0  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
M  END

$$$$
D07UUB
  -OEChem-04152111202D

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 29 31  2  0  0  0  0
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 31 68  1  0  0  0  0
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 34 36  2  0  0  0  0
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 36 73  1  0  0  0  0
 38 41  1  0  0  0  0
 38 42  2  0  0  0  0
 39 41  2  0  0  0  0
 39 43  1  0  0  0  0
 39 45  1  0  0  0  0
 41 75  1  0  0  0  0
 42 44  1  0  0  0  0
 43 44  2  0  0  0  0
 43 77  1  0  0  0  0
 44 78  1  0  0  0  0
 45 79  1  0  0  0  0
 45 80  1  0  0  0  0
 45 81  1  0  0  0  0
 46 82  1  0  0  0  0
 46 83  1  0  0  0  0
 46 84  1  0  0  0  0
M  END

$$$$
D07UXF
  -OEChem-03141904542D

 34 33  0     0  0  0  0  0  0999 V2000
    7.6210    4.2150    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D07VAI
  -OEChem-04152111172D

 33 32  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D07VHS
  -OEChem-10101305032D

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 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
M  END

$$$$
D07VIB
  -OEChem-10101305032D

 46 48  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D07VNH
  -OEChem-03141904482D

 63 68  0     1  0  0  0  0  0999 V2000
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   14.9815    1.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8634    1.4243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0694    1.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4452   -1.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 27  1  0  0  0  0
 28 29  2  0  0  0  0
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 29 58  1  0  0  0  0
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 31 33  2  0  0  0  0
 31 60  1  0  0  0  0
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 32 61  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  END

$$$$
D07VYP
  -OEChem-03141904472D

 40 42  0     1  0  0  0  0  0999 V2000
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   10.3972    0.5000    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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 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D07WCT
  -OEChem-04152111202D

 60 63  0     0  0  0  0  0  0999 V2000
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 29 31  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
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 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END

$$$$
D07WEN
  -OEChem-03141904512D

 51 54  0     1  0  0  0  0  0999 V2000
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    6.5075   -0.9580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0562    1.3322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759   -4.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6981   -2.4416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3032   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0749   -4.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5642   -1.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9612   -3.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3337   -3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4734   -1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2486    0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9898    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827   -0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2146    0.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6192    1.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086    2.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3314    2.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    2.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4879    3.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    3.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107    4.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    4.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6940   -4.8759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6172   -1.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7248   -5.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5377   -5.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8799   -5.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6688   -4.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1459   -1.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3010   -1.3802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7669   -3.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3754   -4.1116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9277   -3.9768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5286   -3.2104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0691   -1.3964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1222    0.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6838   -0.4114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -0.8498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -0.3321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8134    0.4272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0541    0.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2383    1.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009    1.9894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667    4.1701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    3.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8077    5.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 27  1  0  0  0  0
  9  3  1  6  0  0  0
  3 15  1  0  0  0  0
  4 15  2  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 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 40  1  0  0  0  0
  7 17  1  0  0  0  0
  7 21  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 28  1  0  0  0  0
  9 12  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
 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 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
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  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
 20 47  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 25  1  0  0  0  0
 23 48  1  0  0  0  0
 24 26  2  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
M  END

$$$$
D07WGN
  -OEChem-03141904502D

 45 45  0     1  0  0  0  0  0999 V2000
    3.1249   -5.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5819   -3.2918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    5.3210    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9048    4.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -4.6216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -2.2738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -3.6737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7575   -1.6738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1251    1.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3061    3.5984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7238    2.8939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8994    4.5120    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5929   -3.0828    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5929   -3.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -4.0338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9019   -4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -4.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1752   -2.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7630   -1.5693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3562   -0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9440    0.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373    1.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7183    2.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2052   -3.1798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577   -2.4662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -2.9539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869   -4.6462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2119   -4.5708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683   -3.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -5.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9285   -1.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0151   -2.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9255   -0.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8422   -1.0024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747   -0.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186   -3.0673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1219   -1.1722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0097   -2.2402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1066    1.5128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0233    0.7201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9227    3.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4716    3.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3594    2.3924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  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
 13  6  1  1  0  0  0
  6 18  1  0  0  0  0
  6 31  1  0  0  0  0
  7 17  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
 19  8  1  6  0  0  0
  8 39  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 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 43  1  0  0  0  0
 11 23  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  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
 14 26  1  0  0  0  0
 15 17  1  6  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  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 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  CHG  2   3  -1  12   1
M  END

$$$$
D07WHN
  SciTegic11301210262D

 14 15  0  0  1  0            999 V2000
    0.0750   -0.4917    0.0000 C   0  0
   -1.2458   -0.5417    0.0000 N   0  0
   -0.6208   -0.0917    0.0000 C   0  0  2  0  0  0
    0.7625   -0.0917    0.0000 N   0  0
   -1.8708   -0.0917    0.0000 C   0  0
    0.0750   -1.2917    0.0000 O   0  0
   -2.5625   -0.4917    0.0000 O   0  0
   -0.8583    0.6458    0.0000 C   0  0
   -1.6333    0.6458    0.0000 C   0  0
    1.4375   -0.4792    0.0000 C   0  0
    0.7625    0.6833    0.0000 C   0  0
    1.4375    1.0708    0.0000 C   0  0
    2.1042   -0.0917    0.0000 C   0  0
    2.1042    0.6833    0.0000 C   0  0
  2  3  1  0
  3  1  1  6
  4  1  1  0
  5  2  1  0
  6  1  2  0
  7  5  2  0
  8  3  1  0
  9  8  1  0
 10  4  1  0
 11  4  1  0
 12 11  1  0
 13 10  1  0
 14 12  1  0
  5  9  1  0
 13 14  1  0
M  END

$$$$
D07WHS
  -OEChem-04152109222D

 49 49  0     1  0  0  0  0  0999 V2000
    2.0000    0.9300    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5696    2.1001    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.5696   -2.2400    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.4725    0.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725   -0.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7606   -1.6523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7606    1.5124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8596   -0.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8596    0.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9282    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6603    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0561   -0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8651   -0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8651    0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -0.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -0.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    2.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  4 19  1  0  0  0  0
  4 22  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
 17  6  1  1  0  0  0
  6 47  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 27  2  0  0  0  0
 10 28  2  0  0  0  0
 12 11  1  1  0  0  0
 11 15  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  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 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 17  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
 16 40  1  0  0  0  0
 17 23  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
 19 21  2  0  0  0  0
 20 24  2  0  0  0  0
 20 43  1  0  0  0  0
 21 24  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 29  1  0  0  0  0
 25 45  1  0  0  0  0
 26 30  2  0  0  0  0
 26 46  1  0  0  0  0
 29 31  2  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
M  CHG  4   2   1   3   1   7  -1   8  -1
M  END

$$$$
D07WJE
          08121100322D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
   -0.9052   -2.9854    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1928   -2.5729    0.0000 S   0  0  3  0  0  0           0  0  0
   -0.6053   -1.8605    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2197   -3.2895    0.0000 O   0  0  0  0  0  0           0  0  0
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    1.2362   -2.5729    0.0000 C   0  0  3  0  0  0           0  0  0
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    1.9529   -2.9854    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8237   -3.2895    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2362   -1.1438    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.4737   -1.8605    0.0000 Cl  0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  2  2  0     0  0
  5  2  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  6  8  1  0     0  0
  6  9  1  0     0  0
  7 10  1  0     0  0
  7 11  1  0     0  0
M  END

$$$$
D07WRW
  SciTegic05281317142D

 42 47  0  0  0  0            999 V2000
    0.6891   -2.0191    0.0000 C   0  0
    0.6891    0.9935    0.0000 C   0  0
    1.9711   -1.2660    0.0000 C   0  0
    1.9711    0.2243    0.0000 C   0  0
    3.2691    0.9935    0.0000 C   0  0  2  0  0  0
    4.5671    0.2243    0.0000 C   0  0
    4.5671   -1.2660    0.0000 C   0  0  2  0  0  0
    3.2691   -2.0191    0.0000 C   0  0
   -0.6089    0.2243    0.0000 C   0  0
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   -1.9070   -2.0191    0.0000 C   0  0
   -1.9070    0.9935    0.0000 C   0  0
   -3.2050    0.2243    0.0000 C   0  0
   -3.2050   -1.2660    0.0000 C   0  0
   -4.5030   -2.0191    0.0000 C   0  0
   -5.8010   -1.2660    0.0000 C   0  0
   -5.8010    0.2243    0.0000 C   0  0
   -4.5030    0.9935    0.0000 C   0  0
    3.2722    2.4940    0.0000 O   0  0
    4.5730    3.2426    0.0000 C   0  0
    4.5783    4.7426    0.0000 O   0  0
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    5.8840    6.6881    0.0000 C   0  0
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    4.5389   -2.4656    0.0000 O   0  0
    0.6923   -3.2191    0.0000 O   0  0
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   -1.9070    2.1935    0.0000 O   0  0
   -1.9070   -3.2191    0.0000 O   0  0
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    7.4420    7.5848    0.0000 C   0  0
    9.5203    7.5815    0.0000 O   0  0
    8.4821    8.1830    0.0000 O   0  0
    9.1367    1.2241    0.0000 C   0  0
    9.8892    2.5218    0.0000 C   0  0
  5 19  1  1
  9 10  1  0
 19 20  1  0
 20 21  1  0
  3  1  1  0
  1 10  2  0
  9  2  2  0
  9 12  1  0
 20 25  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 10 11  1  0
 22 26  1  1
 11 14  1  0
 23 27  1  1
 13 12  1  0
 24 28  1  1
  2  4  1  0
  7 29  1  1
  3  4  2  0
  1 30  1  0
 13 14  2  0
  2 31  1  0
  3  8  1  0
 12 32  2  0
 14 15  1  0
 11 33  2  0
  4  5  1  0
  7 34  1  0
 15 16  2  0
 34 35  1  0
  5  6  1  0
 34 36  2  0
 16 17  1  0
 27 37  1  0
  6  7  1  0
 37 38  1  0
 17 18  2  0
 37 39  2  0
 18 13  1  0
 37 40  2  0
 41 28  1  0
 42 41  1  0
 28 42  1  0
  7  8  1  0
M  ENDM  END

$$$$
D07WXI
  -OEChem-10101305032D

 43 45  0     1  0  0  0  0  0999 V2000
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    7.1279   -1.6962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.5009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.0590    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7320   -0.6962    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
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
 11  4  1  6  0  0  0
  4 31  1  0  0  0  0
 12  5  1  6  0  0  0
  5 32  1  0  0  0  0
  6 14  1  0  0  0  0
  6 37  1  0  0  0  0
 10  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 19  1  0  0  0  0
  8 33  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  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
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  1  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  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 22  2  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 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D07WYI
  -OEChem-10191522562D

247251  0     1  0  0  0  0  0999 V2000
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    6.9327    7.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3346    6.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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129245  1  0  0  0  0
M  END

$$$$
D07XDQ
          07030700072D 1   1.00000     0.00000     0

 37 40  0     1  0            999 V2000
   -1.4207   -0.4448    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.1379   -0.0241    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.4241   -1.2759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7034   -0.0310    0.0000 C   0  0  0  0  0  0           0  0  0
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   -3.5690   -0.0207    0.0000 C   0  0  0  0  0  0           0  0  0
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  1  2  1  0     0  0
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  2  5  1  0     0  0
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 31 37  1  0     0  0
 12 17  1  0     0  0
 14 18  1  0     0  0
 25 26  1  0     0  0
 28 29  1  0     0  0
M  END

$$$$
D07XJJ
  -OEChem-10101305022D

 91 94  0     0  0  0  0  0  0999 V2000
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   12.7637    3.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7637   11.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6302    9.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0897    8.8651    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
  6 19  1  0  0  0  0
  6 27  1  0  0  0  0
  7 18  1  0  0  0  0
  7 26  1  0  0  0  0
  8 16  2  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 17  2  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 21  2  0  0  0  0
 10 31  1  0  0  0  0
 11 20  2  0  0  0  0
 11 30  1  0  0  0  0
 12 39  1  0  0  0  0
 12 84  1  0  0  0  0
 12 85  1  0  0  0  0
 13 38  1  0  0  0  0
 13 86  1  0  0  0  0
 13 87  1  0  0  0  0
 14 40  1  0  0  0  0
 14 90  1  0  0  0  0
 14 91  1  0  0  0  0
 15 41  1  0  0  0  0
 15 88  1  0  0  0  0
 15 89  1  0  0  0  0
 16 28  1  0  0  0  0
 16 33  1  0  0  0  0
 17 29  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 29  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
 20 37  1  0  0  0  0
 21 36  1  0  0  0  0
 22 45  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 44  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 46  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 47  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 34  2  0  0  0  0
 27 30  1  0  0  0  0
 27 35  2  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 39  2  0  0  0  0
 31 38  2  0  0  0  0
 32 36  2  0  0  0  0
 32 60  1  0  0  0  0
 33 37  2  0  0  0  0
 33 61  1  0  0  0  0
 34 40  1  0  0  0  0
 34 48  1  0  0  0  0
 35 41  1  0  0  0  0
 35 49  1  0  0  0  0
 36 63  1  0  0  0  0
 37 62  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
 40 42  2  0  0  0  0
 41 43  2  0  0  0  0
 42 65  1  0  0  0  0
 43 64  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
 45 66  1  0  0  0  0
 45 67  1  0  0  0  0
 45 68  1  0  0  0  0
 46 72  1  0  0  0  0
 46 73  1  0  0  0  0
 46 74  1  0  0  0  0
 47 75  1  0  0  0  0
 47 76  1  0  0  0  0
 47 77  1  0  0  0  0
 48 78  1  0  0  0  0
 48 79  1  0  0  0  0
 48 80  1  0  0  0  0
 49 81  1  0  0  0  0
 49 82  1  0  0  0  0
 49 83  1  0  0  0  0
M  CHG  3   1  -2   8   1   9   1
M  END

$$$$
D07XOV
  -OEChem-03141904522D

 45 48  0     0  0  0  0  0  0999 V2000
   10.3078    1.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0976   -1.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4110   -0.0852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0290   -0.0852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7153    0.2396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486    1.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6993    2.4613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    1.2974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2200   -0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0860   -1.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3540   -1.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0860   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3540   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2200   -2.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7200    0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7200    0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956   -0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0350    1.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6926    0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    1.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3550    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    0.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660    0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940    1.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6767    2.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6966   -1.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1419   -0.5903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7434   -1.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2981   -0.5903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2981   -2.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6966   -2.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7434   -2.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1419   -2.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8215   -3.1479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6185   -3.1479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187   -0.2768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6014    1.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424    2.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5534    3.1854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7676    2.7964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260   -0.3508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    0.1781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    3.2633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273    0.7070    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 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  4 36  1  0  0  0  0
  5 19  1  0  0  0  0
  5 22  1  0  0  0  0
  5 41  1  0  0  0  0
  6 22  2  0  0  0  0
  6 25  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  2  0  0  0  0
  8 24  1  0  0  0  0
  8 44  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
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 29  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 14  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 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  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 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D07XQS
  -OEChem-03141904522D

 55 59  0     1  0  0  0  0  0999 V2000
    6.3301   -1.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.2759    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.7725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858   -1.5773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3741    0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800    1.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    0.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022   -0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2501    1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539    2.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219    3.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898    3.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1257    4.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616    4.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3640    1.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9729    1.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5786   -0.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9858    0.3357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8774    2.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0791    2.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    0.5991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2484    0.3414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -0.3578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -1.1873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4599    1.1891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8611    1.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.6649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6576    2.9572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    2.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -5.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -4.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6639    4.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8580    4.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640    5.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  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 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5 11  2  0  0  0  0
  5 14  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 13  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 32  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
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 12 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 40  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 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 26  1  0  0  0  0
 20 44  1  0  0  0  0
 21 27  2  0  0  0  0
 21 45  1  0  0  0  0
 22 25  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
 24 48  1  0  0  0  0
 24 49  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 29  2  0  0  0  0
 26 52  1  0  0  0  0
 27 29  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
M  END

$$$$
D07YAR
  -OEChem-04152111352D

306305  0     1  0  0  0  0  0999 V2000
    7.0010    4.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.1927    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9247   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1972    4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6613    4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9292    7.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4606   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4651    7.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7286    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9965   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2645    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7286   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5273    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331    4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5324   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7953    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -9.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    7.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -6.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6664    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D07YGH
  -OEChem-10101305032D

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 28 55  1  0  0  0  0
M  END

$$$$
D07YGK
  -OEChem-02031521052D

 66 70  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D07YHM
  -OEChem-02061504112D

 58 61  0     1  0  0  0  0  0999 V2000
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    3.7320    2.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4436   -4.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6313   -5.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3026   -4.9583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897   -4.9583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610   -5.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0771   -3.3414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207   -4.1305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -2.3982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5705   -4.8449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4480   -2.7597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9787   -5.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8543   -5.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8084   -4.1378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9296   -1.4329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4520   -0.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166   -1.1751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    2.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    4.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 31  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 31  1  0  0  0  0
  5 57  1  0  0  0  0
  5 58  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  6  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  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 12  2  0  0  0  0
 10 13  1  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 15  1  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 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 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 46  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
 21 50  1  0  0  0  0
 21 51  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
 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 54  1  0  0  0  0
 28 30  2  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 30 31  1  0  0  0  0
M  END

$$$$
D07YPB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.583   0.406   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.869  -0.007   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.154   0.406   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.440  -0.007   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.275   0.406   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.989  -0.007   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.275   1.231   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.440  -0.832   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.797   1.203   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.620   1.246   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.916   0.476   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.275  -0.043   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.275  -0.869   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.990  -1.281   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.990  -2.106   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.275  -2.518   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.561  -2.106   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.561  -1.281   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.846  -2.518   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.989  -0.832   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.704  -1.244   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.418  -0.832   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.418  -0.007   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.704   0.406   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.133   0.406   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.073   1.938   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.787   1.526   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.485   2.653   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.358   2.351   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.644  -1.938   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.358  -2.351   0.000  1.00  0.00           N  
HETATM   32  S   UNL     1       4.073  -1.938   0.000  1.00  0.00           S  
HETATM   33  O   UNL     1       3.660  -1.224   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.485  -2.653   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       4.787  -1.526   0.000  1.00  0.00           N  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   26                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   10   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D07YVK
  -OEChem-10121500162D

 28 30  0     1  0  0  0  0  0999 V2000
    4.8714    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.3728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    1.5711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5321    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009    1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.0195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -1.8478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -1.8478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -1.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9739    2.0938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.4601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.2057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -2.3728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181   -2.3728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  5  3  1  6  0  0  0
  3 15  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  6  1  0  0  0  0
  5  7  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 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 13  2  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
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D07ZAH
  -OEChem-10101305022D

102106  0     1  0  0  0  0  0999 V2000
    8.8006    0.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -0.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -4.3434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7862    2.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5208    3.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -1.7454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479    0.7579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -2.6114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.6114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1681    4.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388   -1.2454    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0388   -2.2454    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0878   -0.9363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9851   -0.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9851   -2.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0878   -2.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5687   -1.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7788    0.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -1.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -2.6114    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5000   -3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1389    1.7089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0000   -4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6340   -3.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3660   -2.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -3.4774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5000   -3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1607    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -5.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8080    2.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -5.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -6.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -6.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8591    5.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8517    2.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0670    6.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1160    5.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4990    3.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8736    3.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0399   -0.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0399   -3.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4754   -0.8393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5224   -0.6314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7340   -0.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7340   -3.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5224   -2.8593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 49102  1  0  0  0  0
M  END

$$$$
D07ZCK
  -OEChem-10121500232D

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 29 51  1  0  0  0  0
M  END

$$$$
D07ZMQ
          08120800062D 1   1.00000     0.00000     0

  9  9  0     0  0            999 V2000
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  2  1  1  0     0  0
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  5  1  1  0     0  0
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  3  4  1  0     0  0
M  END

$$$$
D07ZNI
          05030700242D 1   1.00000     0.00000     0

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

$$$$
D07ZTD
  -OEChem-04152109532D

 67 70  0     1  0  0  0  0  0999 V2000
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  1 33  1  0  0  0  0
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 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
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 30 59  1  0  0  0  0
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 31 62  1  0  0  0  0
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 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
M  END

$$$$
D07ZUZ
  -OEChem-04152111272D

 46 49  0     0  0  0  0  0  0999 V2000
   11.6026   -2.9696    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9777   -0.6377    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    0.6807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2457   -0.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9777    1.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136   -0.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3797    0.8623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816    1.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    2.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9777   -0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4777   -1.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8438   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3438   -2.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1117   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4777    0.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4777    0.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3797   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9777    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4777    1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4777    1.9604    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 11  1  0  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
 15 16  2  0  0  0  0
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 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
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 40  1  0  0  0  0
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 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 27  2  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D08AAB
  -OEChem-04152110502D

 39 42  0     0  0  0  0  0  0999 V2000
    4.5274    1.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3307   -0.3429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0274    0.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END

$$$$
D08AAV
  -OEChem-04152111222D

 69 73  0     0  0  0  0  0  0999 V2000
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 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
M  END

$$$$
D08AOZ
  -OEChem-03141904502D

 72 77  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D08BEA
  -OEChem-04152110072D

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 52101  1  0  0  0  0
M  END

$$$$
D08BEO
  -OEChem-10121501542D

 44 47  0     1  0  0  0  0  0999 V2000
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    5.3076   -1.9233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.1439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6114    1.9090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2314    2.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6114    3.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5011   -3.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3985   -0.9516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9179   -2.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -3.3951    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 16  1  0  0  0  0
  2 19  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 18  1  0  0  0  0
  5 11  2  0  0  0  0
  6 25  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  1  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 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  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
 12 31  1  0  0  0  0
 13 15  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
 15 16  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  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
 20 36  1  0  0  0  0
 21 24  2  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
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
M  END

$$$$
D08BXT
  -OEChem-10111523452D

 29 28  0     0  0  0  0  0  0999 V2000
    6.0010   -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
    2.5369   -0.2500    0.0000 N   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
    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
    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
    9.4651   -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
    7.3346   -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
    7.2656    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
    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
    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
    6.0010   -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
    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
    3.8015    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
   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
    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
  1  5  1  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 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  1  0  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  6  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
  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 17  1  0  0  0  0
  7 18  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 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
M  END

$$$$
D08CDE
  -OEChem-10101305032D

 39 40  0     1  0  0  0  0  0999 V2000
    5.4641   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -2.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3450    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -1.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2764   -1.6497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2764   -0.0403    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   -1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8600   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3450    0.0000 C   0  0  1  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
    2.8660    2.6550    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
    6.4201   -2.1902    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
    6.8389   -2.0891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8137    0.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0253    0.5266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208   -1.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208   -0.4303    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
    4.9272   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1937   -2.7281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.2376    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
    1.4631    3.4650    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
  8  1  1  1  0  0  0
  1 30  1  0  0  0  0
  9  2  1  6  0  0  0
  2 31  1  0  0  0  0
 14  3  1  1  0  0  0
  3 15  1  0  0  0  0
 12  4  1  6  0  0  0
  4 32  1  0  0  0  0
  5 15  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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  1  0  0  0
  8 12  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
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 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 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
 15 16  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
 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

$$$$
D08CGU
  -OEChem-10101305022D

 39 38  0     0  0  0  0  0  0999 V2000
    2.0000    2.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    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
    5.4641   -3.5000    0.0000 N   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   -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
    4.5981   -4.0000    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
    6.3301   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0000    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
    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
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0000    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.6077    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
    4.3860   -3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -3.4174    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
    4.3860   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -5.0000    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
    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
    5.1350    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 13  2  0  0  0  0
  3 20  1  0  0  0  0
  4 20  2  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 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 36  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  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 12  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  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 34  1  0  0  0  0
 11 35  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
 13 14  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 37  1  0  0  0  0
 16 19  2  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
 17 20  1  0  0  0  0
 19 39  1  0  0  0  0
M  CHG  2   3  -1  21   1
M  END

$$$$
D08CJK
  -OEChem-10111523252D

 24 25  0     0  0  0  0  0  0999 V2000
    4.6783   -1.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    0.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812    0.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    2.3838    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 16  1  0  0  0  0
  2  8  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  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  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 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  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 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END

$$$$
D08CNP
  -OEChem-04152110082D

 42 45  0     1  0  0  0  0  0999 V2000
    6.3981    4.6344    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.3656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -4.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6366   -3.8601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.6344    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8000   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4456   -2.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147   -3.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093   -3.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -2.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.4673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745   -1.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    3.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    3.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8669   -4.6344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741   -3.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7259   -3.0327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0444   -2.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  8  1  0  0  0  0
  2 36  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 28  1  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 39  1  0  0  0  0
  7 16  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  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 14  2  0  0  0  0
 12 15  2  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
 14 29  1  0  0  0  0
 15 20  1  0  0  0  0
 15 30  1  0  0  0  0
 16 21  1  0  0  0  0
 17 23  1  0  0  0  0
 17 31  1  0  0  0  0
 18 24  2  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 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  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
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D08CQY
  SciTegic03281318422D

 68 72  0  0  0  0            999 V2000
    1.0390   -3.9939    0.0000 C   0  0
    0.3253   -2.7499    0.0000 O   0  0
    1.0694   -3.1333    0.0000 C   0  0
    1.7446   -2.7204    0.0000 N   0  0
   12.4898   -3.9980    0.0000 C   0  0
   12.4662   -3.1453    0.0000 C   0  0
   11.7686   -2.7204    0.0000 N   0  0
   13.1879   -2.7499    0.0000 O   0  0
    2.4727   -3.9991    0.0000 C   0  0
    3.1851   -4.4010    0.0000 C   0  0
    2.4782   -3.1588    0.0000 C   0  0
    3.1935   -1.9220    0.0000 O   0  0
    3.1932   -2.7540    0.0000 C   0  0
    3.9113   -3.1513    0.0000 C   0  0
    4.6128   -2.7204    0.0000 N   0  0
    3.9087   -3.9977    0.0000 C   0  0
    9.6267   -3.9979    0.0000 C   0  0
   10.3414   -4.3995    0.0000 C   0  0
    8.9004   -2.7204    0.0000 N   0  0
    9.6345   -3.1741    0.0000 C   0  0
   10.3453   -2.7563    0.0000 C   0  0
   11.0487   -3.1560    0.0000 C   0  0
   11.0692   -3.9974    0.0000 C   0  0
    5.4371   -3.1341    0.0000 C   0  0
    6.0378   -2.7472    0.0000 C   0  0
    6.0321   -1.8924    0.0000 N   0  0
    7.4515   -1.8924    0.0000 N   0  0
    7.4807   -2.7535    0.0000 C   0  0
    8.0872   -3.1277    0.0000 C   0  0
    6.7743   -3.1708    0.0000 C   0  0
   11.0275   -1.5017    0.0000 C   0  0  2  0  0  0
   10.6920   -0.7402    0.0000 C   0  0
   11.3149   -0.1497    0.0000 C   0  0
   11.9765   -0.5914    0.0000 N   0  0
   11.8597   -1.4144    0.0000 C   0  0
    1.6261   -1.4188    0.0000 C   0  0
    2.4881   -1.4937    0.0000 C   0  0  1  0  0  0
    1.4482   -0.5619    0.0000 N   0  0
    2.7889   -0.7558    0.0000 C   0  0
    2.1818   -0.1702    0.0000 C   0  0
    6.7652   -1.5071    0.0000 C   0  0
   11.0294   -2.3064    0.0000 H   0  0
    2.2746   -2.2901    0.0000 H   0  0
   10.3267   -2.2025    0.0000 O   0  0
   13.2043   -4.4105    0.0000 C   0  0
   13.2043   -5.2355    0.0000 C   0  0
   13.9187   -5.6480    0.0000 C   0  0
   13.9187   -6.4730    0.0000 N   0  0
   14.6332   -6.8855    0.0000 C   0  0
   14.6332   -7.7105    0.0000 N   0  0
   15.3477   -6.4730    0.0000 N   0  0
    0.3245   -4.4064    0.0000 C   0  0
    0.3245   -5.2314    0.0000 C   0  0
   -0.3899   -5.6439    0.0000 C   0  0
   -0.3899   -6.4689    0.0000 N   0  0
   -1.1044   -6.8814    0.0000 C   0  0
   -1.1044   -7.7064    0.0000 N   0  0
   -1.8189   -6.4689    0.0000 N   0  0
    3.1830   -5.2260    0.0000 C   0  0
    3.8964   -5.6403    0.0000 F   0  0
    2.4674   -5.6366    0.0000 F   0  0
    3.1808   -6.0510    0.0000 F   0  0
   10.3384   -5.2245    0.0000 C   0  0
   11.0514   -5.6396    0.0000 F   0  0
    9.6225   -5.6344    0.0000 F   0  0
   10.3355   -6.0495    0.0000 F   0  0
    8.0507   -3.9519    0.0000 O   0  0
    5.4812   -3.9579    0.0000 O   0  0
  2  3  2  0
  3  4  1  0
  3  1  1  0
  5  6  1  0
  6  8  2  0
  7  6  1  0
  7 22  1  0
  9 10  1  0
  9 11  2  0
 10 16  2  0
 11  4  1  0
 11 13  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 16 14  1  0
 17 18  2  0
 17 20  1  0
 19 20  1  0
 19 29  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 24 15  1  0
 24 25  1  0
 25 26  1  0
 25 30  2  0
 26 41  2  0
 27 28  2  0
 28 29  1  0
 30 28  1  0
 31 32  1  0
 31 42  1  1
 32 33  1  0
 33 34  1  0
 35 34  1  0
 35 31  1  0
 36 37  1  0
 36 38  1  0
 38 40  1  0
 39 37  1  0
 40 39  1  0
 41 27  1  0
 37 43  1  6
 31 44  1  6
 37 12  1  1
 44 21  1  0
  5 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
  1 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  2  0
 56 58  1  0
 10 59  1  0
 59 60  1  0
 59 61  1  0
 59 62  1  0
 18 63  1  0
 63 64  1  0
 63 65  1  0
 63 66  1  0
 29 67  2  0
 24 68  2  0
M  END

$$$$
D08CVC
  -OEChem-04152108492D

 99100  0     1  0  0  0  0  0999 V2000
   12.9572   -2.7889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632   -2.2751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8632   -2.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632   -1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3666   -1.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8699   -0.5546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3665   -1.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9572   -0.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8699   -0.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3599   -3.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3732    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3732    0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8765    1.1659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3732    0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8765    1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3799    2.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3799    2.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3799    2.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8832    2.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8832    2.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3865    3.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7532   -2.8891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4450   -2.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4741   -1.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4766   -0.8047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7848   -1.2006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1819   -0.0189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2565   -2.0289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9483   -1.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3508   -0.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5526   -0.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7599   -1.1686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4517   -0.7728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8218   -3.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6678   -3.6812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8980   -2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4832    0.9158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7914    0.5199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2632   -0.3084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9550    0.0875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1886    1.7016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9113    0.6213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0653    0.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8351    0.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7665    0.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4583    0.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4899    2.6362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7981    2.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D08DCP
  -OEChem-04152111342D

 63 66  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D08DFU
  -OEChem-04152110402D

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 36 87  1  0  0  0  0
 37 38  2  0  0  0  0
 39 89  1  0  0  0  0
M  END

$$$$
D08DGC
  -OEChem-02041520492D

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 29 65  1  0  0  0  0
M  END

$$$$
D08DGW
  -OEChem-10101305032D

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

$$$$
D08DHN
  -OEChem-04152111362D

 48 52  0     1  0  0  0  0  0999 V2000
    6.7870    3.0004    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6064    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0416   -0.5882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.5118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.3551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.8932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.6064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8511    0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1068    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9378   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7580    2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935   -0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    2.0884    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 28  1  0  0  0  0
  3 18  1  0  0  0  0
  3 43  1  0  0  0  0
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 12  5  1  1  0  0  0
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 25 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D08DMH
  -OEChem-03141904492D

 53 55  0     1  0  0  0  0  0999 V2000
    5.4641   -3.6315    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 23  7  1  1  0  0  0
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 33 51  1  0  0  0  0
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 35 53  1  0  0  0  0
M  END

$$$$
D08DOE
          01280517572D 1   1.00000     0.00000     0

255257  0     0  0            999 V2000
   13.6000   -1.2875    0.0000 C   0  0  3  0  0  0           0  0  0
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178199  1  0     0  0
M  END

$$$$
D08DPN
          04100902202D 1   1.00000     0.00000     0

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  2  6  1  6     0  0
 10  9  1  0     0  0
 11 10  2  0     0  0
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 13 12  2  0     0  0
 13  9  1  0     0  0
  5 10  1  6     0  0
 16 15  1  0     0  0
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 27 31  1  0     0  0
 35 36  1  0     0  0
 26 35  1  0     0  0
  1 23  1  0     0  0
M  END

$$$$
D08DUF
  -OEChem-04152110052D

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406844  1  0  0  0  0
M  END

$$$$
D08DUY
  -OEChem-10101305022D

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M  END

$$$$
D08EAI
  -OEChem-10121500242D

 69 72  0     1  0  0  0  0  0999 V2000
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 38 69  1  0  0  0  0
M  END

$$$$
D08EES
          01210517122D 1   1.00000     0.00000     0

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

$$$$
D08EEU
  -OEChem-04152109542D

 44 46  0     1  0  0  0  0  0999 V2000
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   12.4451    0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3092    0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8377   -1.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4522    0.2803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0504    0.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3289    1.3792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3050   -1.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1021   -1.6351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8418    1.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1753   -1.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972    0.0279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7723   -0.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4350   -1.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    0.6501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8411   -0.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4475    1.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8474    0.6393    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
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4 20  2  0  0  0  0
  5 23  2  0  0  0  0
  6 20  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  6  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 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 18  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
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 19  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 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  2  0  0  0  0
 18 22  1  0  0  0  0
 19 39  1  0  0  0  0
 21 24  1  0  0  0  0
 21 40  1  0  0  0  0
 22 25  2  0  0  0  0
 22 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  CHG  2   2   1   6  -1
M  END

$$$$
D08EOW
  -OEChem-03141904452D

 97101  0     1  0  0  0  0  0999 V2000
    7.4988    5.2390    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.5016    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0369    2.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4382   -1.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9879    2.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -4.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4382   -2.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6332    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2471    0.0181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8302    0.5432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0765    1.3012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3280    3.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5483    3.0980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6969    1.8598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4765    2.0255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9013   -3.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7072   -3.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0222    3.6238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2425    3.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6842   -5.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6842   -4.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -4.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -4.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9242   -4.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -5.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9242   -5.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3076   -2.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4416    1.8687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2228    2.2667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 40  1  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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  4 19  2  0  0  0  0
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  5 47  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
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 10 19  1  0  0  0  0
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 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  6  0  0  0
 13 17  1  0  0  0  0
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 14 25  2  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
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 17 27  2  0  0  0  0
 17 28  1  0  0  0  0
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 20 30  2  0  0  0  0
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 21 23  1  0  0  0  0
 21 56  1  0  0  0  0
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 23 60  1  0  0  0  0
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 25 32  1  0  0  0  0
 25 64  1  0  0  0  0
 26 33  2  0  0  0  0
 26 65  1  0  0  0  0
 27 34  1  0  0  0  0
 27 66  1  0  0  0  0
 28 35  2  0  0  0  0
 28 67  1  0  0  0  0
 29 37  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 39  1  0  0  0  0
 31 41  2  0  0  0  0
 31 70  1  0  0  0  0
 32 40  2  0  0  0  0
 32 71  1  0  0  0  0
 33 40  1  0  0  0  0
 33 72  1  0  0  0  0
 34 42  2  0  0  0  0
 34 73  1  0  0  0  0
 35 42  1  0  0  0  0
 35 74  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 36 41  1  0  0  0  0
 37 43  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 38 44  1  0  0  0  0
 38 45  1  0  0  0  0
 38 46  1  0  0  0  0
 39 77  1  0  0  0  0
 41 78  1  0  0  0  0
 43 79  1  0  0  0  0
 43 80  1  0  0  0  0
 44 81  1  0  0  0  0
 44 88  1  0  0  0  0
 44 89  1  0  0  0  0
 45 85  1  0  0  0  0
 45 86  1  0  0  0  0
 45 87  1  0  0  0  0
 46 82  1  0  0  0  0
 46 83  1  0  0  0  0
 46 84  1  0  0  0  0
 47 49  1  0  0  0  0
 47 90  1  0  0  0  0
 47 91  1  0  0  0  0
 48 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
 49 97  1  0  0  0  0
M  END

$$$$
D08EQD
  -OEChem-03141904492D

 67 70  0     1  0  0  0  0  0999 V2000
    4.5981    3.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1488   -5.7922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2641    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
M  END

$$$$
D08ESA
  -OEChem-10121500252D

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 31 53  1  0  0  0  0
M  END

$$$$
D08EUS
  -OEChem-10101305032D

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  4 38  1  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
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  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 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  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 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
 13 40  1  0  0  0  0
 14 39  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 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  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
M  END

$$$$
D08EYQ
          08031100072D 1   1.00000     0.00000     0

 28 29  0     1  0            999 V2000
   -1.2000    0.4448    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.3000    0.4448    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7276   -0.2828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4793    1.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2276   -0.2828    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0241    1.3000    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6241   -0.1897    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7517    1.8276    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1241   -0.1897    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.9862    0.6379    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1483   -0.9138    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6517   -0.9172    0.0000 N   0  0  0  0  0  0           0  0  0
    1.4897    0.6345    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8828    0.7310    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.0414   -0.8241    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5483   -0.8207    0.0000 C   0  0  1  0  0  0           0  0  0
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    0.9621    1.3621    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.4103    0.0034    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2483    1.5517    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -4.5690   -1.5517    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.9138    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0759   -1.5517    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8103    0.0931    0.0000 C   0  0  3  0  0  0           0  0  0
    3.9724   -1.4552    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7103   -2.3724    0.0000 O   0  0  0  0  0  0           0  0  0
    4.1759    0.9172    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3379   -0.6345    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  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  7 10  2  0     0  0
  7 11  1  0     0  0
  9 12  1  0     0  0
  9 13  1  1     0  0
 10 14  1  0     0  0
 11 15  2  0     0  0
 12 16  1  0     0  0
 13 17  1  0     0  0
 13 18  2  0     0  0
 14 19  2  0     0  0
 14 20  1  0     0  0
 15 21  1  0     0  0
 16 22  1  1     0  0
 16 23  1  0     0  0
 22 24  1  0     0  0
 23 25  1  0     0  0
 23 26  2  0     0  0
 24 27  1  0     0  0
 24 28  1  0     0  0
  6  8  1  0     0  0
 15 19  1  0     0  0
M  END

$$$$
D08FDX
  -OEChem-10101305022D

 56 60  0     0  0  0  0  0  0999 V2000
    9.8744   -3.6514    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0439    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.4561    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.4561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9969   -4.9561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0458   -3.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580   -4.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -3.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4580   -4.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0458   -5.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9969   -3.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    4.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670   -5.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -5.8548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -3.6461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4985   -3.5917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4415   -6.0455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3075   -5.9083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1703   -5.0423    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 33  2  0  0  0  0
  3 23  1  0  0  0  0
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 10 30  1  0  0  0  0
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 10 53  1  0  0  0  0
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 14 37  1  0  0  0  0
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 17 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 24 42  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  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
 28 49  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 31 34  1  0  0  0  0
 31 51  1  0  0  0  0
 32 35  2  0  0  0  0
 32 52  1  0  0  0  0
 34 36  2  0  0  0  0
 34 54  1  0  0  0  0
 35 36  1  0  0  0  0
 35 55  1  0  0  0  0
 36 56  1  0  0  0  0
M  END

$$$$
D08FHZ
  -OEChem-10191522582D

 65 69  0     1  0  0  0  0  0999 V2000
   12.1968    0.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5465    1.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5428   -0.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5008    2.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18  2  1  1  0  0  0
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 19  3  1  1  0  0  0
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 20  8  1  6  0  0  0
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 36 63  1  0  0  0  0
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 36 65  1  0  0  0  0
M  END

$$$$
D08FIX
  -OEChem-04152110462D

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 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END

$$$$
D08FKH
  -OEChem-04152111142D

 50 53  0     0  0  0  0  0  0999 V2000
   12.1901   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 35 48  1  0  0  0  0
 35 49  1  0  0  0  0
 35 50  1  0  0  0  0
M  END

$$$$
D08FKL
  -OEChem-04152111282D

 50 51  0     1  0  0  0  0  0999 V2000
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 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D08FKX
  -OEChem-10101305032D

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M  END

$$$$
D08FMK
  -OEChem-04152111322D

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M  END

$$$$
D08FSD
  -OEChem-04152111182D

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M  END

$$$$
D08FTP
  -OEChem-04152111362D

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 74127  1  0  0  0  0
 75128  1  0  0  0  0
M  CHG  5   1   4   2  -1  73  -1  74  -1  75  -1
M  ISO  1   1  99
M  END

$$$$
D08FWK
  -OEChem-04152108402D

 15 16  0     0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D08GBB
  -OEChem-04152110472D

 53 52  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D08GIM
  -OEChem-04152110402D

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M  END

$$$$
D08GJH
  -OEChem-10121501432D

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 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 26 57  1  0  0  0  0
M  END

$$$$
D08HFW
  -OEChem-10101305022D

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M  END

$$$$
D08HKT
          11280714562D 1   1.00000     0.00000     0

 19 21  0     0  0            999 V2000
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  2  1  2  0     0  0
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 11  2  1  0     0  0
 12  5  2  0     0  0
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 14  5  1  0     0  0
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 16  8  2  0     0  0
 17  9  2  0     0  0
 18 10  1  0     0  0
 19 11  1  0     0  0
 13 11  1  0     0  0
  7  6  2  0     0  0
  9 18  1  0     0  0
M  END

$$$$
D08HOM
  -OEChem-10101305032D

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 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 55  1  0  0  0  0
 35 56  1  0  0  0  0
M  END

$$$$
D08HVG
  -OEChem-04152108442D

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 51 84  1  0  0  0  0
 51 85  1  0  0  0  0
 51 86  1  0  0  0  0
M  CHG  1  10   1
M  END

$$$$
D08HXG
  -OEChem-02061504152D

160163  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D08IXA
  -OEChem-04152109122D

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 47 96  1  0  0  0  0
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M  CHG  2   1   1   5  -1
M  END

$$$$
D08JAC
          05251100072D 1   1.00000     0.00000     0

 29 30  0     0  0            999 V2000
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  2  1  1  0     0  0
  3  6  1  0     0  0
  4  1  2  0     0  0
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 10 12  1  0     0  0
 11  7  1  0     0  0
 12  9  2  0     0  0
 13 11  2  0     0  0
 14  3  2  0     0  0
 15  8  1  0     0  0
 16 19  1  0     0  0
 17 15  2  0     0  0
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 22  4  1  0     0  0
 23  5  1  0     0  0
 24  4  1  0     0  0
 25  5  1  0     0  0
 26  5  1  0     0  0
 27 23  1  0     0  0
 28 10  1  0     0  0
 29 11  1  0     0  0
 22 27  1  0     0  0
 16 20  2  0     0  0
M  END

$$$$
D08JSA
  -OEChem-03141904512D

 36 36  0     0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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  6 10  2  0  0  0  0
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  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  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
 11 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 24  1  0  0  0  0
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 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  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 29  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D08JWC
  -OEChem-10101305032D

 60 63  0     0  0  0  0  0  0999 V2000
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   13.1750   -1.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 13 40  1  0  0  0  0
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 16 20  2  0  0  0  0
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 18 22  2  0  0  0  0
 18 44  1  0  0  0  0
 19 24  1  0  0  0  0
 19 45  1  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
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 27 28  1  0  0  0  0
 27 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
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  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

$$$$
D08JWJ
  -OEChem-10101305022D

 44 46  0     0  0  0  0  0  0999 V2000
    4.1756   -2.8173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 30 42  1  0  0  0  0
 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
M  CHG  2   4   1  11  -1
M  END

$$$$
D08JXW
          09081001182D 1   1.00000     0.00000     0

 25 28  0     0  0            999 V2000
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   -5.7300   -2.6304    0.0000 N   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
  3  2  2  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  2  0     0  0
  7  6  1  0     0  0
  8  7  2  0     0  0
  9  8  1  0     0  0
  9  1  1  0     0  0
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  6 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
 16 11  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
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 21 20  1  0     0  0
 22 21  2  0     0  0
 23 22  1  0     0  0
 23 18  2  0     0  0
 24 25  1  0     0  0
 21 24  1  0     0  0
 11 17  1  0     0  0
 10 13  1  0     0  0
M  END

$$$$
D08KDK
          01071001132D 1   1.00000     0.00000     0

 22 23  0     0  0            999 V2000
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    7.9310    1.0245    0.0000 O   0  0  0  0  0  0           0  0  0
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    4.6305   -1.1683    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3556   -1.9453    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8920   -2.5733    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7068   -2.4190    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9780   -1.6421    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9032   -0.1243    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6005    0.6443    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7852    0.7652    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2717    0.1183    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5794   -0.6518    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3938   -0.7690    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2166    0.0000    0.0000 Na  0  3  0  0  0  0           0  0  0
 10 11  2  0     0  0
  1  2  1  0     0  0
 11 12  1  0     0  0
  1  3  1  0     0  0
 12 13  2  0     0  0
  2  4  1  0     0  0
 13 14  1  0     0  0
  2  5  2  0     0  0
 14 15  2  0     0  0
 15 10  1  0     0  0
  1 10  1  0     0  0
  3  6  1  0     0  0
  3  7  2  0     0  0
 16 17  2  0     0  0
  4  8  1  0     0  0
 17 18  1  0     0  0
  8  9  2  0     0  0
 18 19  2  0     0  0
  6  8  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
  1 16  1  0     0  0
M  CHG  1  22   1
M  END

$$$$
D08KIB
  -OEChem-04152111022D

 71 73  0     1  0  0  0  0  0999 V2000
    3.6180    3.6171    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235    3.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135    2.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5852    2.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370    1.8946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1949    4.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7604   -2.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    3.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0694   -1.6551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6016    3.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0029    2.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    0.0675    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0181    6.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1784    3.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9974    2.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2559    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572   -0.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7034   -5.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5694   -6.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4027    2.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5693    4.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8429    1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5711    2.2227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3185    4.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    5.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120    5.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    4.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6266    4.2798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4013    2.1355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0461    1.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6347    6.1291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829    6.8106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7478    5.3591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    4.5405    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 14  1  0  0  0  0
  1 16  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  2  0  0  0  0
  7 28  2  0  0  0  0
  8 12  1  0  0  0  0
  8 31  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 18  1  0  0  0  0
 22 10  1  6  0  0  0
 10 50  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  2  0  0  0  0
 12 30  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  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
 15 19  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
 16 44  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 45  1  0  0  0  0
 20 25  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 26  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  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
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
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 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 29  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 30  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 31 32  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 67  1  0  0  0  0
 34 36  2  0  0  0  0
 34 68  1  0  0  0  0
 35 37  2  0  0  0  0
 35 69  1  0  0  0  0
 36 37  1  0  0  0  0
 36 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  END

$$$$
D08KMU
  -OEChem-04152122242D

 50 51  0     0  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
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.0000    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
    3.7320   -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
    3.7320    3.0000    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
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  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
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  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  2  0  0  0  0
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  7 11  1  0  0  0  0
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  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
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  9 26  1  0  0  0  0
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 10 16  2  0  0  0  0
 10 17  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
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  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 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  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
 21 41  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 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
 24 50  1  0  0  0  0
M  END

$$$$
D08KTQ
  -OEChem-02061504182D

490492  0     1  0  0  0  0  0999 V2000
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   12.5474   22.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7461   18.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3477   12.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5365   19.2619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9610   25.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4497   17.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7400   -5.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8118   11.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D08KYQ
  -OEChem-04152122232D

 36 38  0     1  0  0  0  0  0999 V2000
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    7.6567   -0.4428    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4931    2.0059    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
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    3.4040   -1.6555    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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 13  4  1  6  0  0  0
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 20 33  1  0  0  0  0
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M  END

$$$$
D08LAE
  -OEChem-04152111192D

 35 36  0     1  0  0  0  0  0999 V2000
    6.8776   -2.6239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 14  7  1  6  0  0  0
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 20 35  1  0  0  0  0
 21 23  1  0  0  0  0
M  END

$$$$
D08LDB
  -OEChem-10101305032D

 46 49  0     1  0  0  0  0  0999 V2000
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   10.9753    1.6736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9753    2.5031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8308    3.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4341    4.4329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6521    4.0362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3658    0.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368    4.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304   -0.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1180   -0.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1357   -1.6237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -3.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420   -3.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 29  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  2  0  0  0  0
  5 19  1  0  0  0  0
  5 40  1  0  0  0  0
  6 21  2  0  0  0  0
  7 22  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 41  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  1  0  0  0
 12 14  1  0  0  0  0
 12 17  1  1  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 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  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 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  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
 26 28  2  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
M  END

$$$$
D08LLM
          01220512582D 1   1.00000     0.00000     0

 16 17  0     0  0            999 V2000
    4.8417   -2.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7667   -3.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4167   -2.4375    0.0000 N   0  0  0  0  0  0           0  0  0
    5.9875   -2.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0625   -3.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2250   -2.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3750   -3.8792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9875   -4.2375    0.0000 N   0  0  0  0  0  0           0  0  0
    3.6125   -2.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6000   -2.5000    0.0000 N   0  0  0  0  0  0           0  0  0
    4.4417   -3.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6125   -3.5542    0.0000 F   0  0  0  0  0  0           0  0  0
    4.2292   -1.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9917   -2.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6125   -1.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9917   -1.7667    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  1  1  0     0  0
  7  2  1  0     0  0
  8  7  3  0     0  0
  9  6  1  0     0  0
 10  4  1  0     0  0
 11  5  1  0     0  0
 12  9  1  0     0  0
 13  6  2  0     0  0
 14  9  2  0     0  0
 15 13  1  0     0  0
 16 15  2  0     0  0
  4  2  2  0     0  0
 16 14  1  0     0  0
M  END

$$$$
D08LMS
  -OEChem-10101305022D

 63 64  0     1  0  0  0  0  0999 V2000
    3.7694    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.8671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    7.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6354    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2694    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2694    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    6.3671    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5991    6.8671    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3312    6.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    7.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    7.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    8.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651    5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9651    5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    6.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6350    6.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.8671    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
    0.5369    7.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    5.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6350    4.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5014    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5432    6.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417    6.9747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3871    8.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885    7.7594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417    7.7594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5432    8.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    8.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    8.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4282    5.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2751    4.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5021    5.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4282    5.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6551    4.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021    5.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    5.8921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    5.8921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    8.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    8.6771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    5.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.2471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    6.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    9.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150    5.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1914    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8114    1.4030    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  2  0  0  0  0
  1  8  2  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  1  0  0  0  0
  4 50  1  0  0  0  0
  5 32  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
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  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
 11 35  1  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 14  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 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  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 48  1  0  0  0  0
 17 49  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 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 51  1  0  0  0  0
 23 27  1  0  0  0  0
 23 52  1  0  0  0  0
 24 28  2  0  0  0  0
 24 53  1  0  0  0  0
 25 29  2  0  0  0  0
 25 54  1  0  0  0  0
 26 30  2  0  0  0  0
 26 55  1  0  0  0  0
 27 31  2  0  0  0  0
 27 56  1  0  0  0  0
 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 31  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D08LRV
  -OEChem-10101305032D

 46 45  0     1  0  0  0  0  0999 V2000
    3.0000    5.0475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    7.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4766    8.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9407    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9407    1.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3426    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6106    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3426    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6106    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4766   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4766    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3426    6.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3426    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0747    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0747    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9407    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0747    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5547    8.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9532    8.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    8.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985    8.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9532    9.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5547   10.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985   10.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    9.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8751   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    7.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2646    6.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8796    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1306    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7456    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9407    4.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4776    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4776    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0747    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    5.0475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    5.0475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 46  1  0  0  0  0
  2 45  1  0  0  0  0
  3 15  1  0  0  0  0
  3 38  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  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 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8 20  1  0  0  0  0
  8 22  2  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 12  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 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  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 16  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  1  0  0  0  0
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 18 20  2  0  0  0  0
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 19 39  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

$$$$
D08MCS
  -OEChem-03141904542D

 30 31  0     0  0  0  0  0  0999 V2000
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  4 12  1  0  0  0  0
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 10 22  1  0  0  0  0
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 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D08MHD
  -OEChem-04152111252D

 48 51  0     1  0  0  0  0  0999 V2000
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 28 29  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D08MHM
  -OEChem-10101305022D

 65 69  0     1  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

$$$$
D08MJO
  -OEChem-04152109422D

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M  END

$$$$
D08MXP
  -OEChem-10191522582D

 62 66  0     0  0  0  0  0  0999 V2000
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 30 60  1  0  0  0  0
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 32 62  1  0  0  0  0
M  END

$$$$
D08NAD
  -OEChem-04152110102D

 31 32  0     0  0  0  0  0  0999 V2000
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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
    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
    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
    3.7320   -3.0000    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    3.0000    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
    7.1962    4.0000    0.0000 C   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
    5.4641    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.8100    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
    7.8162    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  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 20  1  0  0  0  0
  7 21  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 15  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
 15 16  2  0  0  0  0
 16 20  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 26  1  0  0  0  0
 19 22  2  0  0  0  0
 19 27  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  1  0  0  0  0
M  END

$$$$
D08NCO
  -OEChem-10101305032D

  9  7  0     0  0  0  0  0  0999 V2000
    0.8660    1.0000    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    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
    0.8660    4.0369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    4.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    3.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560    4.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    3.5000    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
  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
M  CHG  2   2  -1   5   1
M  END

$$$$
D08NDE
  -OEChem-10191522592D

 50 53  0     1  0  0  0  0  0999 V2000
   10.7404    1.1038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3241   -1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3241    0.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404   -0.5057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2010    0.0000 N   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
   12.8241   -0.5670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3241   -1.4330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8241   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3241   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3241    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2010    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    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2010    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
    5.4641   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2041   -0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0141   -0.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4067   -0.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7164    0.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2414   -2.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9317   -2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7990   -1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7990   -1.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7164   -2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4067   -2.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6341    0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0141   -1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -0.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7621    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
 10  2  1  1  0  0  0
  2 40  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4 27  2  0  0  0  0
  9  5  1  6  0  0  0
  5 15  1  0  0  0  0
  5 39  1  0  0  0  0
  6 15  2  0  0  0  0
  6 17  1  0  0  0  0
  7 25  2  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 47  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 12  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 14  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
 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
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  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
 20 21  1  0  0  0  0
 21 43  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 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 27  1  0  0  0  0
 26 46  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

$$$$
D08NKJ
  -OEChem-04152108372D

 16 17  0     0  0  0  0  0  0999 V2000
    4.2690    1.8100    0.0000 O   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
    3.4030    0.3100    0.0000 N   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   -0.9947    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
    6.2738    1.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6200    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
    2.5369   -1.8100    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
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  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 11  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

$$$$
D08NXW
  -OEChem-10101305022D

460465  0     1  0  0  0  0  0999 V2000
   15.8025  -10.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4954  -13.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5563  -11.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8561  -17.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1632  -13.9290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1022  -15.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8634   -8.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0807  -15.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6841  -15.4627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172   -9.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0198  -16.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2866   -5.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9483  -11.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7306  -18.1080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5508   -1.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6833   -4.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.8614   -0.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9244   -6.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5516  -11.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.1471    2.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.7289    2.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.1256    3.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.6223   -6.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.4183    2.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8158   -8.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.9931    6.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3331   -7.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4191   -8.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2545    1.8529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.3037    7.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.9215   11.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.8821    9.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.2142   10.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.9536    4.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.2322   12.5954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.5964    6.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4656  -11.1676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.8500   16.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.5644   13.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.8715   16.5231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.6253   14.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.9324   18.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5538   20.0384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.2001   19.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6863   16.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8490  -12.6466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5133  -11.1580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8131  -16.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8740  -15.0858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1991   -9.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4989  -15.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4379  -17.0319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9170  -17.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5743   -9.5438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0378  -14.9246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3054  -13.5617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3316  -13.3459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.2616   -2.6129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601   -8.2614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D08NYZ
  -OEChem-04152111312D

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    7.5695    3.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3016    3.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    2.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3016    2.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4355    1.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5284    2.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    1.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0883    1.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    2.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537    0.0761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450    0.0761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    3.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673    2.7338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7314    2.7338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5594    3.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873    4.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908    4.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.5719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6646    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0987    0.5719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5268    1.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297    4.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    5.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326    5.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045    6.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    7.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0326    4.1431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8385    4.1431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0326    2.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8385    2.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8156    1.3331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4355    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0556    1.3331    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 22  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
  5 10  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 11  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 15  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 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  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
 15 48  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 49  1  0  0  0  0
 18 20  2  0  0  0  0
 18 50  1  0  0  0  0
 19 21  2  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  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 54  1  0  0  0  0
 25 27  2  0  0  0  0
 25 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
M  CHG  2   2  -1   5   1
M  END

$$$$
D08OBT
  -OEChem-04152108472D

 29 31  0     0  0  0  0  0  0999 V2000
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    3.4030   -1.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6596    2.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3274    1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    1.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    1.2835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -0.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -1.9532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    2.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456    0.0687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8522    3.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9341    1.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  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 16  1  0  0  0  0
  6 18  2  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  2  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
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D08ONJ
  -OEChem-02061504192D

 59 63  0     1  0  0  0  0  0999 V2000
    5.2619    4.2935    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.5614    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2337    4.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4290    5.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783    1.7567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.3662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9639   -1.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2746   -2.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9174   -4.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    3.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    3.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    4.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    4.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    5.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    5.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251   -0.7608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2241   -1.0075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308   -0.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814   -1.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170   -1.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385    0.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742   -0.2302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608   -2.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540   -3.2031    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
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3 20  2  0  0  0  0
 21  4  1  1  0  0  0
  4 52  1  0  0  0  0
  5 31  1  0  0  0  0
  5 34  1  0  0  0  0
  6 32  1  0  0  0  0
  6 34  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 23  2  0  0  0  0
  9 24  1  0  0  0  0
 10 22  2  0  0  0  0
 10 28  1  0  0  0  0
 11 26  1  0  0  0  0
 11 28  2  0  0  0  0
 12 26  1  0  0  0  0
 12 55  1  0  0  0  0
 12 56  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 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 18  1  0  0  0  0
 15 38  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 41  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  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
 21 25  1  0  0  0  0
 21 48  1  0  0  0  0
 22 24  1  0  0  0  0
 24 26  2  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
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 53  1  0  0  0  0
 29 31  2  0  0  0  0
 29 54  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 57  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
M  END

$$$$
D08OOJ
  -OEChem-04152111282D

 54 58  0     0  0  0  0  0  0999 V2000
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   10.5986    3.0072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3059    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5011    3.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4730    3.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9522    2.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6165    0.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7568    3.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    1.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5950    0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6201    3.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107    2.8406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124    2.8498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -0.1683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909    2.4406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    1.7508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7232    4.1013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2025    0.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -0.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1709    4.4541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3428    3.5312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8696    1.3907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426   -1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7876    0.1849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0126    3.4686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7912    2.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -3.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -3.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  2 25  2  0  0  0  0
  3 10  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 14  2  0  0  0  0
  5 14  1  0  0  0  0
  5 16  2  0  0  0  0
  6 16  1  0  0  0  0
  6 23  1  0  0  0  0
  6 40  1  0  0  0  0
  7 25  1  0  0  0  0
  7 50  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  2  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
 10 12  1  0  0  0  0
 10 20  2  0  0  0  0
 11 17  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 18  2  0  0  0  0
 13 21  1  0  0  0  0
 15 34  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
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  1  0  0  0  0
 20 39  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 24  2  0  0  0  0
 22 44  1  0  0  0  0
 23 26  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
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 30  2  0  0  0  0
 28 49  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
 31 54  1  0  0  0  0
M  END

$$$$
D08OTE
  SciTegic11251413152D

 32 35  0  0  0  0            999 V2000
   -2.3169   -3.6839    0.0000 C   0  0
   -3.1238   -3.8554    0.0000 C   0  0
   -3.6759   -3.2423    0.0000 N   0  0
   -3.4209   -2.4577    0.0000 C   0  0
   -2.6140   -2.2862    0.0000 C   0  0
   -2.0619   -2.8992    0.0000 C   0  0
   -3.3788   -4.6400    0.0000 N   0  0
   -2.3590   -1.5015    0.0000 C   0  0
   -2.1041   -0.7169    0.0000 C   0  0
   -1.8492    0.0677    0.0000 C   0  0
   -1.0645    0.3226    0.0000 C   0  0
   -2.3341    0.7351    0.0000 C   0  0
   -1.8492    1.4026    0.0000 N   0  0
   -1.0645    1.1476    0.0000 N   0  0
    0.3644    0.3226    0.0000 C   0  0
   -0.3501   -0.0899    0.0000 N   0  0
   -0.3501    1.5601    0.0000 C   0  0
    0.3644    1.1476    0.0000 C   0  0
   -0.3501    2.3851    0.0000 C   0  0
    1.0789   -0.0899    0.0000 C   0  0
    2.5078   -0.9149    0.0000 C   0  0
    2.5078   -0.0899    0.0000 C   0  0
    1.7934    0.3226    0.0000 C   0  0
    1.0789   -0.9149    0.0000 C   0  0
    1.7934   -1.3274    0.0000 C   0  0
    3.2223   -1.3274    0.0000 C   0  0
    3.9368   -1.7399    0.0000 F   0  0
    2.8098   -2.0418    0.0000 F   0  0
    3.6348   -0.6129    0.0000 F   0  0
   -0.3501    3.2101    0.0000 F   0  0
   -1.1751    2.3851    0.0000 F   0  0
    0.4749    2.3851    0.0000 F   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
  2  7  1  0
  5  8  1  0
  8  9  3  0
  9 10  1  0
 12 13  2  0
 11 10  2  0
 10 12  1  0
 11 14  1  0
 15 16  2  0
 17 18  2  0
 15 18  1  0
 16 11  1  0
 13 14  1  0
 14 17  1  0
 17 19  1  0
 15 20  1  0
 21 22  2  0
 22 23  1  0
 24 25  2  0
 21 25  1  0
 23 20  2  0
 20 24  1  0
 21 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 19 30  1  0
 19 31  1  0
 19 32  1  0
M  ENDM  END

$$$$
D08OUL
  -OEChem-04152110512D

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    2.8147    4.4766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5604    5.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5604   10.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0251    3.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0251    8.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D08OUV
          01210517082D 1   1.00000     0.00000     0

 37 40  0     0  0            999 V2000
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 11 27  1  0     0  0
 12  9  2  0     0  0
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 14 16  2  0     0  0
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 17 19  1  0     0  0
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  6  5  1  0     0  0
 24 18  2  0     0  0
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 20 17  2  0     0  0
 35 36  1  0     0  0
M  END

$$$$
D08OVG
          11061000472D 1   1.00000     0.00000     0

 40 42  0     1  0            999 V2000
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 10  9  1  0     0  0
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 16  8  2  0     0  0
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 11 23  1  0     0  0
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M  END

$$$$
D08PBB
  -OEChem-10101305022D

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M  END

$$$$
D08PCH
  -OEChem-04152110542D

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M  END

$$$$
D08PFA
          09090901202D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
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 13  5  2  0     0  0
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 10  8  1  0     0  0
 26 20  2  0     0  0
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 18 22  1  0     0  0
M  END

$$$$
D08PGC
          10230700062D 1   1.00000     0.00000     0

 25 28  0     0  0            999 V2000
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 10  3  1  0     0  0
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 13  7  1  0     0  0
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M  END

$$$$
D08PIK
          06240803252D 1   1.00000     0.00000     0

 27 30  0     0  0            999 V2000
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   -4.7125   -1.5250    0.0000 C  -1  0  0  0  0  0           0  0  0
 13 10  1  0     0  0
  4  5  1  0     0  0
 14 15  1  0     0  0
  4  9  1  0     0  0
 15 16  1  0     0  0
  5  6  1  0     0  0
 16 17  2  0     0  0
  6  7  1  0     0  0
 17 18  1  0     0  0
  7  8  1  0     0  0
 18 19  2  0     0  0
 19 14  1  0     0  0
 18  2  1  0     0  0
  8  9  1  0     0  0
  2 20  1  0     0  0
  2  1  2  0     0  0
 20 21  2  0     0  0
  3  2  2  0     0  0
 21 22  1  0     0  0
 10 11  2  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 11 12  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
 12 15  2  0     0  0
 22 26  1  0     0  0
 12  4  1  0     0  0
  7 27  1  0     0  0
 14 13  2  0     0  0
M  ISO  1  27  11
M  END

$$$$
D08PMB
          06180800062D 1   1.00000     0.00000     0

 11 11  0     1  0            999 V2000
   -2.9389    1.0875    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.9401    0.3768    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3253    0.0223    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.7130    0.3773    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.7159    1.0912    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.3271    1.4420    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3333    2.1542    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.9499    2.5029    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7230    2.5137    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5537    0.0230    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.0985    0.0249    0.0000 C   0  0  0  0  0  0           0  0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  1  2  1  0     0  0
  6  7  1  0     0  0
  3  4  1  0     0  0
  7  8  1  0     0  0
  7  9  1  0     0  0
  4  5  1  0     0  0
  2 10  1  0     0  0
  2  3  2  0     0  0
  4 11  1  6     0  0
M  END

$$$$
D08PMW
  -OEChem-04152111072D

 39 41  0     0  0  0  0  0  0999 V2000
    4.6622    2.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3608   -1.0299    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674    0.6982    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583   -0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5282   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3953   -0.5000    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
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 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
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 16 17  2  0  0  0  0
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 17 19  1  0  0  0  0
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 18 31  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
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 35  1  0  0  0  0
 24 26  2  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
M  END

$$$$
D08PXL
  -OEChem-04152111232D

 60 63  0     1  0  0  0  0  0999 V2000
    5.3606    0.3387    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1543    4.7518    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0443    3.6528    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0552    3.8618    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.2342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0317    2.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7361    0.7737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15  5  1  6  0  0  0
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 16 40  1  0  0  0  0
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 22 23  2  0  0  0  0
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 23 51  1  0  0  0  0
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 30 55  1  0  0  0  0
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 30 57  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END

$$$$
D08PXR
  -OEChem-10101305022D

 37 38  0     1  0  0  0  0  0999 V2000
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 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 21  3  0  0  0  0
M  END

$$$$
D08PYO
  -OEChem-10101305022D

 83 85  0     0  0  0  0  0  0999 V2000
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   12.3923   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 61  1  0  0  0  0
 26 33  1  0  0  0  0
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 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 62  1  0  0  0  0
 30 36  2  0  0  0  0
 30 37  1  0  0  0  0
 31 35  2  0  0  0  0
 31 38  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
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 36 70  1  0  0  0  0
 37 38  2  0  0  0  0
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 38 72  1  0  0  0  0
 39 75  1  0  0  0  0
 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
 40 78  1  0  0  0  0
 40 79  1  0  0  0  0
 40 80  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
M  END

$$$$
D08QDF
  -OEChem-04152111082D

 30 31  0     0  0  0  0  0  0999 V2000
    2.5369   -3.2500    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
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    3.4030   -1.7500    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 21  1  0  0  0  0
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 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
M  END

$$$$
D08QGT
  -OEChem-10191522572D

 62 67  0     0  0  0  0  0  0999 V2000
   10.8600   -3.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 35 61  1  0  0  0  0
M  END

$$$$
D08QWQ
  -OEChem-10191521152D

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M  END

$$$$
D08RMJ
  -OEChem-10191522552D

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 37 38  2  0  0  0  0
 37 63  1  0  0  0  0
 38 64  1  0  0  0  0
M  END

$$$$
D08SCL
  -OEChem-04152111212D

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M  END

$$$$
D08SGE
  -OEChem-03141904482D

 38 39  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D08SIT
  -OEChem-10101305022D

 36 36  0     0  0  0  0  0  0999 V2000
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    9.0101    8.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    4.5727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5937    7.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0638    8.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0638    7.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1978    8.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1978    6.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    3.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    6.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3318    8.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3318    7.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    2.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2027    8.9194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4078    5.9667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2027    6.1313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4078    3.1786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7949    8.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7949    6.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7627    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
  7  9  1  0  0  0  0
  7 11  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
  8 29  1  0  0  0  0
  9 19  2  0  0  0  0
 10 20  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  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
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 26  1  0  0  0  0
 16 22  1  0  0  0  0
 16 25  1  0  0  0  0
 17 23  1  0  0  0  0
 17 28  1  0  0  0  0
 18 24  1  0  0  0  0
 18 27  1  0  0  0  0
 19 32  1  0  0  0  0
 20 31  1  0  0  0  0
 21 23  2  0  0  0  0
 21 34  1  0  0  0  0
 22 24  2  0  0  0  0
 22 33  1  0  0  0  0
 23 36  1  0  0  0  0
 24 35  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

$$$$
D08SSP
  -OEChem-04152110442D

 41 42  0     0  0  0  0  0  0999 V2000
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    2.0000   -3.5994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.7194    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 13  1  0  0  0  0
  2 40  1  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  9  2  0  0  0  0
  5 22  3  0  0  0  0
  6 23  3  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  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 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  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
 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 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  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  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D08TJM
  -OEChem-10121500392D

 53 56  0     1  0  0  0  0  0999 V2000
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   11.9447   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9484    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5509    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1367    0.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1851    0.0818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1384    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1879    1.6999    0.0000 C   0  0  1  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
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   10.4580   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0386   -0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6227   -0.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  1  0  0  0
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 14  3  1  1  0  0  0
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 13  5  1  6  0  0  0
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 10 27  2  0  0  0  0
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 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 22  1  6  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  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
 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
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 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
 23 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
M  END

$$$$
D08TLI
          01210517072D 1   1.00000     0.00000     0

 46 47  0     0  0            999 V2000
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    3.3625   -1.8042    0.0000 N   0  0  0  0  0  0           0  0  0
    3.3625   -0.6500    0.0000 N   0  0  3  0  0  0           0  0  0
    2.6792   -0.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6875   -1.5792    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.8417   -1.8417    0.0000 N   0  0  3  0  0  0           0  0  0
    5.5542   -3.0750    0.0000 N   0  0  3  0  0  0           0  0  0
    3.8375   -3.9000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8542   -5.3250    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5875   -3.9292    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.2250   -4.2542    0.0000 C   0  0  0  0  0  0           0  0  0
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 21  6  2  0     0  0
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 26  9  1  0     0  0
 27  9  1  0     0  0
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 30  3  1  0     0  0
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 32 12  1  0     0  0
 33 13  1  0     0  0
 34 14  1  0     0  0
 35  4  1  0     0  0
 36 43  1  0     0  0
 37  5  1  0     0  0
 38 10  1  0     0  0
 39 40  1  0     0  0
 40 30  1  0     0  0
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 44 35  2  0     0  0
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 46 41  1  0     0  0
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 28 10  1  0     0  0
 45 44  1  0     0  0
 21 19  1  0     0  0
M  END

$$$$
D08TQP
          02081101012D 1   1.00000     0.00000     0

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 33 29  1  0     0  0
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 38 33  2  0     0  0
 12  9  1  0     0  0
 10 39  1  0     0  0
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 39 40  1  0     0  0
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 40 41  1  0     0  0
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 16 15  2  0     0  0
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 18 17  1  0     0  0
 39 45  1  6     0  0
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 13 46  1  0     0  0
 20 19  2  0     0  0
 13 47  1  6     0  0
 21 20  1  0     0  0
M  END

$$$$
D08TRG
  -OEChem-04152111112D

 32 33  0     0  0  0  0  0  0999 V2000
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 17 32  1  0  0  0  0
M  END

$$$$
D08TVA
  -OEChem-10101305022D

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   11.8554   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 54  1  0  0  0  0
 16 19  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  0  0  0  0
 18 23  1  0  0  0  0
 19 57  1  0  0  0  0
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 23 33  2  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
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 24 63  1  0  0  0  0
 25 27  1  0  0  0  0
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 26 34  2  0  0  0  0
 26 40  1  0  0  0  0
 28 37  1  0  0  0  0
 29 38  2  0  0  0  0
 29 39  1  0  0  0  0
 30 35  2  0  0  0  0
 30 65  1  0  0  0  0
 31 36  2  0  0  0  0
 31 64  1  0  0  0  0
 32 35  1  0  0  0  0
 32 67  1  0  0  0  0
 33 36  1  0  0  0  0
 33 66  1  0  0  0  0
 34 41  1  0  0  0  0
 35 69  1  0  0  0  0
 36 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 38 42  1  0  0  0  0
 38 74  1  0  0  0  0
 39 43  2  0  0  0  0
 39 75  1  0  0  0  0
 41 76  1  0  0  0  0
 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
 42 44  2  0  0  0  0
 43 44  1  0  0  0  0
 43 79  1  0  0  0  0
 44 80  1  0  0  0  0
 45 81  1  0  0  0  0
 45 82  1  0  0  0  0
 45 83  1  0  0  0  0
M  CHG  2   5  -1  10   1
M  END

$$$$
D08UGB
  -OEChem-10101305022D

 52 55  0     0  0  0  0  0  0999 V2000
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   12.5619    1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8298    1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3619    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3619    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8868   -2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5049   -2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2947    2.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7785    3.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3035    4.0008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0882    4.0008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6132    3.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929    1.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929   -0.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4486    2.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4486   -1.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8976    1.3571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8976   -0.3087    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
  3 30  1  0  0  0  0
  4 25  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  2  0  0  0  0
  6 35  1  0  0  0  0
  7 35  2  0  0  0  0
  8 19  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 25  2  0  0  0  0
 10 26  2  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 36  1  0  0  0  0
 13 14  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
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  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
 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
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 51  1  0  0  0  0
 34 52  1  0  0  0  0
M  CHG  2   2   1   6  -1
M  END

$$$$
D08UGX
  -OEChem-10121500342D

 35 38  0     1  0  0  0  0  0999 V2000
    2.0000   -0.2694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  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
  8 14  2  0  0  0  0
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  9 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
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 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
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 19 32  1  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

$$$$
D08UOY
          06250900082D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
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  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  5  2  0     0  0
  9  2  1  0     0  0
 10 11  1  0     0  0
 11  8  1  0     0  0
 12  4  2  0     0  0
 13  7  2  0     0  0
 14 13  1  0     0  0
 15 10  2  0     0  0
 16  6  2  0     0  0
 17 10  1  0     0  0
 18  8  1  0     0  0
 19  7  1  0     0  0
 20 18  2  0     0  0
 21 13  1  0     0  0
 14  9  2  0     0  0
  4  6  1  0     0  0
 16 20  1  0     0  0
M  END

$$$$
D08UQS
  -OEChem-04152110382D

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 28 51  1  0  0  0  0
 28 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

$$$$
D08UUK
  -OEChem-04152110442D

 61 65  0     1  0  0  0  0  0999 V2000
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 11  2  1  6  0  0  0
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 23  3  1  1  0  0  0
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 16 40  1  0  0  0  0
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 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 61  1  0  0  0  0
M  END

$$$$
D08UUL
  -OEChem-03141904522D

 46 48  0     0  0  0  0  0  0999 V2000
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    4.6675   -2.4828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -2.4828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1318   -1.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.7678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3344   -1.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -4.7678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0212   -3.9947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -3.7678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412   -2.9209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0552    0.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9596    3.5278    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 13  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 34  1  0  0  0  0
  4 18  2  0  0  0  0
  5 18  1  0  0  0  0
  5 22  1  0  0  0  0
  5 39  1  0  0  0  0
  6 20  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 22  2  0  0  0  0
  7 25  1  0  0  0  0
  8 24  2  0  0  0  0
  8 26  1  0  0  0  0
  9 27  3  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 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 20  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 32  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 19 21  2  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
 22 24  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
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
M  END

$$$$
D08UVZ
  -OEChem-04152110542D

  7  6  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 Br  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   -0.7500    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
    3.7320    0.7500    0.0000 C   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
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  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
M  CHG  2   2  -1   4   1
M  END

$$$$
D08UYM
  -OEChem-04152111002D

 55 58  0     0  0  0  0  0  0999 V2000
    5.0746   -1.8868    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6530   -4.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.4065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.2112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    1.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022    0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858   -0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -1.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531   -2.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995   -1.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3638   -3.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102   -2.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423   -3.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315   -4.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    1.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2484    1.5205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    0.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -0.0082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2484   -0.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -0.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    3.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    4.4891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.9316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.9316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    4.9434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5560    3.8696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    3.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9939   -0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6139    0.4065    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 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 36  1  0  0  0  0
  5 11  2  0  0  0  0
  5 14  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  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 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  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 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  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 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 25  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
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END

$$$$
D08VBV
  -OEChem-04152111252D

 90 94  0     1  0  0  0  0  0999 V2000
    5.8301    6.9930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.6270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    5.2610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3660    5.2610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    6.9930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 40 83  1  0  0  0  0
 41 44  2  0  0  0  0
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 44 84  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 48 86  1  0  0  0  0
 49 87  1  0  0  0  0
 50 88  1  0  0  0  0
 50 89  1  0  0  0  0
 50 90  1  0  0  0  0
M  END

$$$$
D08VDM
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    7.6648   -1.3660    0.0000 F  -1  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648    0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1648    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9748   -0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7018    0.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748    1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    1.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0560    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 13  1  0  0  0  0
  3 17  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  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 14  2  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 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  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
 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  ISO  1   1  18
M  END

$$$$
D08VHG
          06241000122D 1   1.00000     0.00000     0

 35 38  0     0  0            999 V2000
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    3.7750    0.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5458    0.2000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1708    1.2625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1583   -0.1625    0.0000 N   0  0  3  0  0  0           0  0  0
    2.5500    0.9125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1792    1.9708    0.0000 N   0  0  0  0  0  0           0  0  0
    1.9333   -0.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5708    2.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9333   -0.8625    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3208    0.2000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1542   -0.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5792    3.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9583    1.9875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2375    0.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7125   -0.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3208   -1.2167    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.3875   -0.1708    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5417   -1.2167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3458    2.3458    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
  3  6  2  0     0  0
  4  1  1  0     0  0
  5  2  1  0     0  0
  6  4  1  0     0  0
  7  4  2  0     0  0
  8  3  1  0     0  0
  9  7  1  0     0  0
 10  8  2  0     0  0
 11  8  1  0     0  0
 12  5  1  0     0  0
 13  9  2  0     0  0
 14  9  1  0     0  0
 15 26  1  0     0  0
 16 11  2  0     0  0
 17 10  1  0     0  0
 18 17  2  0     0  0
 19  2  2  0     0  0
 20 12  1  0     0  0
 21 14  2  0     0  0
 22 13  1  0     0  0
 23 15  2  0     0  0
 24 21  1  0     0  0
 25  1  1  0     0  0
 26 30  1  0     0  0
 27 15  1  0     0  0
 28 16  1  0     0  0
 29 18  1  0     0  0
 30 25  1  0     0  0
 31 14  1  0     0  0
 32 13  1  0     0  0
 33 24  1  0     0  0
 34 29  1  0     0  0
 35 28  1  0     0  0
  5  3  1  0     0  0
 20 10  1  0     0  0
 24 22  2  0     0  0
 18 16  1  0     0  0
M  END

$$$$
D08VIS
  -OEChem-04152111222D

 65 68  0     1  0  0  0  0  0999 V2000
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    2.8660    3.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.1934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.6934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6484   -3.4629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1826   -5.1072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839   -6.1234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.1166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.1166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 25  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 13  1  0  0  0  0
  3 32  1  0  0  0  0
  3 38  1  0  0  0  0
  4 19  2  0  0  0  0
  5 31  1  0  0  0  0
  5 39  1  0  0  0  0
  6 31  2  0  0  0  0
  7 65  1  0  0  0  0
 14 10  1  1  0  0  0
 10 19  1  0  0  0  0
 10 44  1  0  0  0  0
 16 11  1  1  0  0  0
 11 31  1  0  0  0  0
 11 47  1  0  0  0  0
 12 17  1  0  0  0  0
 12 25  2  0  0  0  0
 13 28  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 40  1  0  0  0  0
 15 20  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 19  1  0  0  0  0
 16 43  1  0  0  0  0
 17 24  2  0  0  0  0
 18 21  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 29  2  0  0  0  0
 21 30  1  0  0  0  0
 22 26  1  0  0  0  0
 22 48  1  0  0  0  0
 23 27  2  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 32  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
 29 33  1  0  0  0  0
 29 53  1  0  0  0  0
 30 34  2  0  0  0  0
 30 54  1  0  0  0  0
 32 36  2  0  0  0  0
 33 35  2  0  0  0  0
 33 55  1  0  0  0  0
 34 35  1  0  0  0  0
 34 56  1  0  0  0  0
 35 58  1  0  0  0  0
 36 37  1  0  0  0  0
 36 59  1  0  0  0  0
 37 38  2  0  0  0  0
 37 60  1  0  0  0  0
 38 61  1  0  0  0  0
 39 62  1  0  0  0  0
 39 63  1  0  0  0  0
 39 64  1  0  0  0  0
M  END

$$$$
D08VSQ
          08091100092D 1   1.00000     0.00000     0

 27 31  0     0  0            999 V2000
    5.8249   -6.1967    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5268   -5.9500    0.0000 C   0  0  1  0  0  0           0  0  0
    6.0257   -5.5213    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2565   -6.3413    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4861   -4.9986    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7167   -5.2833    0.0000 C   0  0  2  0  0  0           0  0  0
    7.4132   -5.6692    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7300   -4.4737    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1867   -6.7220    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4067   -5.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1640   -6.2681    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5537   -6.6276    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9379   -6.2801    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1585   -5.5610    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5427   -5.2135    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9350   -5.5715    0.0000 N   0  0  3  0  0  0           0  0  0
    7.6879   -4.4573    0.0000 N   0  0  0  0  0  0           0  0  0
    8.3899   -4.5249    0.0000 N   0  0  0  0  0  0           0  0  0
    9.7688   -5.2014    0.0000 O   0  0  0  0  0  0           0  0  0
   10.3853   -5.5502    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9958   -5.1892    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6119   -5.5374    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6185   -6.2464    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0039   -6.6059    0.0000 C   0  0  0  0  0  0           0  0  0
   10.3903   -6.2556    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9888   -4.4809    0.0000 C   0  0  0  0  0  0           0  0  0
   12.2220   -5.1775    0.0000 Cl  0  0  0  0  0  0           0  0  0
 12 13  2  0     0  0
 13 16  1  0     0  0
 15 14  1  0     0  0
 15 16  1  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  6  7  1  0     0  0
  6  8  1  0     0  0
 16 10  1  0     0  0
 10 17  2  0     0  0
 17 18  1  0     0  0
 18 15  2  0     0  0
 14 19  1  0     0  0
  2  9  1  1     0  0
 19 20  1  0     0  0
  1  2  1  0     0  0
 20 21  2  0     0  0
 11 12  1  0     0  0
 21 22  1  0     0  0
  1  3  1  0     0  0
 22 23  2  0     0  0
  2  4  1  0     0  0
 23 24  1  0     0  0
  2  5  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
  6 10  1  6     0  0
  3  6  1  0     0  0
 21 26  1  0     0  0
 11 14  2  0     0  0
 22 27  1  0     0  0
M  END

$$$$
D08VVR
  -OEChem-04152111332D

 44 44  0     1  0  0  0  0  0999 V2000
    3.1208   -3.0982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5868    1.6861    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8983   -2.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7227    1.1828    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3433   -4.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1459   -3.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0957   -2.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0846   -0.3794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8509    2.6794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7111    4.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    2.6861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4088   -0.4682    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4339   -0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    1.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906    0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4088    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906    1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313   -1.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0846    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9906    1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9906    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547   -0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7150    3.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -0.9066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8294   -0.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339   -0.8657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153    0.2687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    2.1763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8294    1.6942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936    2.1654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1398    2.3374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677   -1.9639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2026   -1.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774    2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5427   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3905   -0.6809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1668    0.1669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888   -4.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2469    4.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1730    4.4907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1187    2.9982    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  6  2  0  0  0  0
  1  7  2  0  0  0  0
  3 19  1  0  0  0  0
  4 24  1  0  0  0  0
  5 41  1  0  0  0  0
  8 16  2  0  0  0  0
  8 22  1  0  0  0  0
  9 24  2  3  0  0  0
  9 25  1  0  0  0  0
 10 25  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 25  2  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  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
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  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 20  2  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  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
M  CHG  2   2   1   4  -1
M  END

$$$$
D08VWO
  -OEChem-04152111192D

155164  0     1  0  0  0  0  0999 V2000
   15.0693  -14.8674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.7631   15.6474    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8297   13.6541    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.2036  -15.8530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3146  -11.5640    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.7118  -19.7514    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.1243  -14.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4700  -11.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0687  -10.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7231  -13.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9268  -16.9617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5256  -15.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9427   19.5141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8641   12.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.9128  -10.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.6454    9.4805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0853   -3.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604    7.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5420  -15.6301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8784  -16.2687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3533   19.0493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0988  -17.3620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2157   15.2666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   41.0833   -7.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   41.4236    5.1142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2801  -20.2043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.3314  -17.0754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9478  -10.9544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865    8.2225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8877  -12.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7121  -14.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2944  -13.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8932  -12.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7066  -14.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3054  -13.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4755  -11.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1298  -14.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9488  -16.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9433  -16.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5475  -15.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3500  -17.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0475  -14.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3445  -17.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9648  -15.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5498   18.6546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.4892   19.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0988  -16.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9323  -16.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5655   17.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5945   20.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3234   20.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1693   18.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2328  -17.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3325   12.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -16.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -17.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1901   17.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155    8.5200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   39.2228  -11.1142    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5607   12.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D08WBJ
  -OEChem-10101305032D

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   10.8011    4.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5369    1.1469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15  1  1  1  0  0  0
  1 24  1  0  0  0  0
 20  2  1  1  0  0  0
  2 31  1  0  0  0  0
 16  3  1  1  0  0  0
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 21  6  1  1  0  0  0
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 18 60  1  0  0  0  0
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 45102  1  0  0  0  0
 45103  1  0  0  0  0
 46104  1  0  0  0  0
 46105  1  0  0  0  0
 46106  1  0  0  0  0
 47 52  2  0  0  0  0
 47 53  1  0  0  0  0
 48110  1  0  0  0  0
 48111  1  0  0  0  0
 48112  1  0  0  0  0
 49113  1  0  0  0  0
 49114  1  0  0  0  0
 49115  1  0  0  0  0
 50120  1  0  0  0  0
 50121  1  0  0  0  0
 50122  1  0  0  0  0
 51117  1  0  0  0  0
 51118  1  0  0  0  0
 51119  1  0  0  0  0
 52 55  1  0  0  0  0
 52123  1  0  0  0  0
 53 56  2  0  0  0  0
 53124  1  0  0  0  0
 54125  1  0  0  0  0
 54126  1  0  0  0  0
 54127  1  0  0  0  0
 55 57  2  0  0  0  0
 55128  1  0  0  0  0
 56 57  1  0  0  0  0
 56129  1  0  0  0  0
 57130  1  0  0  0  0
M  END

$$$$
D08WLY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.321   0.825   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.321   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.607  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.892   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.892   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.607   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.035  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.178   1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.537   0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.537   0.000   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.178  -0.412   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.251  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.251   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.966   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.680   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.680   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.966   2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.251   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.395   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.750   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.464  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.464  -1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.750  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.035  -1.238   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.179  -1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.179  -2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.893  -1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.251  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.966   0.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.835  -0.996   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.109   1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.464   0.619   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.750   0.206   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       5.179   0.206   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       5.893   0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   20   24                                            
CONECT    8    5    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   28   29   30                                       
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   31                                                 
CONECT   20    7   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23    7                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   19   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D08WOW
  -OEChem-04152122322D

 56 58  0     1  0  0  0  0  0999 V2000
   11.3800    4.3538    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0408    3.1034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1297    3.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8169    0.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960    0.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2010    0.5315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830   -0.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.9918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5459    1.0420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -1.3142    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7840   -2.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -2.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830   -0.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -2.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595   -1.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491    0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6536   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2511    0.0864    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2762   -0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7892   -3.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295   -3.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 33  1  0  0  0  0
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 12  9  1  1  0  0  0
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 18 37  1  0  0  0  0
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 26 45  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  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
 32 55  1  0  0  0  0
M  END

$$$$
D08WYH
  -OEChem-10191523022D

 60 63  0     0  0  0  0  0  0999 V2000
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   11.3767    1.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5012    1.7169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3003    0.2573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
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 13 39  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 49  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 26  1  0  0  0  0
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 25 54  1  0  0  0  0
 26 27  2  0  0  0  0
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 27 29  1  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 31  1  0  0  0  0
 30 60  1  0  0  0  0
M  END

$$$$
D08XBF
  -OEChem-02061503572D

 12 11  0     0  0  0  0  0  0999 V2000
    3.4030   -0.2685    0.0000 P   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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  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  2 11  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END

$$$$
D08XKL
  -OEChem-04152121572D

  8  3  0     0  0  0  0  0  0999 V2000
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  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
M  CHG  6   1   3   2   3   3  -1   4  -1   6  -2   7  -2
M  END

$$$$
D08XOY
  -OEChem-04152111172D

 41 45  0     1  0  0  0  0  0999 V2000
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 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D08XPW
  -OEChem-10121500362D

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 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D08XQV
  -OEChem-03141904492D

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M  END

$$$$
D08XZQ
          09230900072D 1   1.00000     0.00000     0

 62 67  0     1  0            999 V2000
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M  END

$$$$
D08YHS
  -OEChem-10111523512D

 51 55  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D08YNI
  -OEChem-04152110072D

156162  0     1  0  0  0  0  0999 V2000
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 82154  1  0  0  0  0
M  END

$$$$
D08YOM
  -OEChem-04152110442D

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 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  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
 26 49  1  0  0  0  0
 27 30  1  0  0  0  0
 27 50  1  0  0  0  0
 27 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
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D08YWK
  -OEChem-04152110532D

 62 66  0     1  0  0  0  0  0999 V2000
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    2.0000    2.8598    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
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
 16  4  1  1  0  0  0
  4 51  1  0  0  0  0
  5 22  2  0  0  0  0
  6 26  1  0  0  0  0
  6 62  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
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  9 32  1  6  0  0  0
 10 12  1  0  0  0  0
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 10 33  1  1  0  0  0
 11 13  1  0  0  0  0
 11 22  1  1  0  0  0
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 13 14  1  0  0  0  0
 13 34  1  1  0  0  0
 14 35  1  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 39  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  1  0  0  0
 17 25  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
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 19 43  1  0  0  0  0
 19 44  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 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 26  1  0  0  0  0
 23 29  2  0  0  0  0
 24 47  1  0  0  0  0
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 25 30  2  0  0  0  0
 25 50  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
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 31  1  0  0  0  0
 29 60  1  0  0  0  0
 30 31  1  0  0  0  0
 30 61  1  0  0  0  0
M  END

$$$$
D08ZKJ
          01210517122D 1   1.00000     0.00000     0

 25 28  0     1  0            999 V2000
    4.6000   -1.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1792   -2.5292    0.0000 N   0  0  0  0  0  0           0  0  0
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  2  1  2  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7  5  1  0     0  0
  8  9  1  0     0  0
  9  7  1  0     0  0
 10  4  1  0     0  0
  7 11  1  6     0  0
 12  6  1  0     0  0
 13 10  2  0     0  0
 14 12  2  0     0  0
 15 11  1  0     0  0
 16  8  2  0     0  0
 17  9  2  0     0  0
 18 13  1  0     0  0
 19 15  1  0     0  0
 20 15  1  0     0  0
 21 22  2  0     0  0
 22 17  1  0     0  0
 23 20  1  0     0  0
 24 19  1  0     0  0
 25 23  1  0     0  0
  6  4  2  0     0  0
 14 13  1  0     0  0
 16 21  1  0     0  0
 25 24  1  0     0  0
M  END

$$$$
D08ZPO
  -OEChem-10101305022D

 47 47  0     1  0  0  0  0  0999 V2000
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  1 46  1  0  0  0  0
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 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
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 17 38  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
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 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END

$$$$
D08ZRR
          01280517592D 1   1.00000     0.00000     0

 34 35  0     0  0            999 V2000
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    8.0667   -2.0750    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.0667   -1.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6792   -2.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8000   -0.8667    0.0000 O   0  0  0  0  0  0           0  0  0
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    9.2917   -2.7875    0.0000 N   0  0  0  0  0  0           0  0  0
    8.0667   -0.6667    0.0000 N   0  0  0  0  0  0           0  0  0
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  2  1  2  0     0  0
  3  1  1  0     0  0
  4  7  1  0     0  0
  5  2  1  0     0  0
  6  2  1  0     0  0
  7 11  1  0     0  0
  8  1  1  0     0  0
  9  6  3  0     0  0
 10  5  3  0     0  0
 11 28  1  0     0  0
 12 18  1  0     0  0
 13 19  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
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 20 14  2  0     0  0
 21 15  2  0     0  0
 22  8  1  0     0  0
 23 14  1  0     0  0
 24 15  1  0     0  0
 25 31  1  0     0  0
 26  3  1  0     0  0
 27  3  1  0     0  0
 28 25  1  0     0  0
 29 13  1  0     0  0
 30 13  1  0     0  0
 31 27  1  0     0  0
 32 30  1  0     0  0
 33 29  1  0     0  0
 34 32  1  0     0  0
 26 22  1  0     0  0
  4 12  2  0     0  0
 33 34  1  0     0  0
M  END

$$$$
D08ZZP
          01210517112D 1   1.00000     0.00000     0

 34 32  0     0  0            999 V2000
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    0.1375   -0.5000    0.0000 C   0  0  3  0  0  0           0  0  0
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   -0.4833   -0.8625    0.0000 C   0  0  3  0  0  0           0  0  0
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    5.0167   -0.5417    0.0000 F   0  0  0  0  0  0           0  0  0
    6.2500   -1.7917    0.0000 F   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  5  4  1  0     0  0
  6  2  1  0     0  0
  7  3  1  0     0  0
  8  5  1  0     0  0
  9  4  1  0     0  0
 10  4  1  0     0  0
 11  1  1  0     0  0
 12  1  1  0     0  0
 13  3  1  0     0  0
 14  3  1  0     0  0
 15  2  1  0     0  0
 16  2  1  0     0  0
 17  5  1  0     0  0
 18  5  1  0     0  0
 19  4  1  0     0  0
 20  6  1  0     0  0
 21  7  1  0     0  0
 22  7  1  0     0  0
 23  7  1  0     0  0
 24  6  1  0     0  0
 25  6  1  0     0  0
 26  8  1  0     0  0
 27  8  1  0     0  0
 28  8  1  0     0  0
 29  9  1  0     0  0
 30 10  1  0     0  0
 31  9  1  0     0  0
 32 10  1  0     0  0
 33  9  1  0     0  0
 34 10  1  0     0  0
M  END

$$$$
D09AFI
  -OEChem-10191521162D

 63 68  0     0  0  0  0  0  0999 V2000
    3.7044    2.0234    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0470    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8364    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 25  3  0  0  0  0
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 30 33  1  0  0  0  0
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 36 40  1  0  0  0  0
 37 60  1  0  0  0  0
 38 61  1  0  0  0  0
 39 63  1  0  0  0  0
M  END

$$$$
D09AHZ
  -OEChem-10101305032D

 86 88  0     0  0  0  0  0  0999 V2000
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 39 84  1  0  0  0  0
 39 85  1  0  0  0  0
 39 86  1  0  0  0  0
M  END

$$$$
D09ALE
  -OEChem-10111523312D

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   10.4148    1.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 61  1  0  0  0  0
M  END

$$$$
D09ALR
  -OEChem-04152110252D

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 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
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 30 32  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  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
M  END

$$$$
D09AOO
  -OEChem-04152111222D

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 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D09AYQ
  -OEChem-10121501332D

 43 45  0     0  0  0  0  0  0999 V2000
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 24 41  1  0  0  0  0
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 24 43  1  0  0  0  0
M  END

$$$$
D09BBA
  -OEChem-04152110502D

 55 59  0     1  0  0  0  0  0999 V2000
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  1 17  1  0  0  0  0
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  9  3  1  6  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
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 25 27  2  0  0  0  0
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 27 52  1  0  0  0  0
 29 30  2  0  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 55  1  0  0  0  0
M  END

$$$$
D09BBW
          11190900072D 1   1.00000     0.00000     0

 61 50  0     1  0            999 V2000
    8.9499  -10.0250    0.0000 Na  0  3  0  0  0  0           0  0  0
    8.0166   -4.5334    0.0000 Na  0  3  0  0  0  0           0  0  0
    2.4625   -4.6875    0.0000 Na  0  3  0  0  0  0           0  0  0
    1.3875  -10.1500    0.0000 H   0  0  0  0  0  0           0  0  0
    2.0051   -9.7958    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6227  -10.1500    0.0000 H   0  0  0  0  0  0           0  0  0
    5.5999   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    6.2134   -8.7083    0.0000 O   0  0  0  0  0  0           0  0  0
    6.8268   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    6.4625  -10.1500    0.0000 H   0  0  0  0  0  0           0  0  0
    7.0759   -9.7958    0.0000 O   0  0  0  0  0  0           0  0  0
    7.6894  -10.1500    0.0000 H   0  0  0  0  0  0           0  0  0
    9.4167   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
   10.0342   -8.7083    0.0000 O   0  0  0  0  0  0           0  0  0
   10.6518   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    3.9291  -10.1500    0.0000 H   0  0  0  0  0  0           0  0  0
    4.5425   -9.7958    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1560  -10.1500    0.0000 H   0  0  0  0  0  0           0  0  0
    1.7541   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    2.3675   -8.7083    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9810   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
   -0.1959   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    0.4217   -8.7083    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0393   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    3.6791   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    4.2925   -8.7083    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9060   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    7.5499   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
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    8.7768   -9.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    3.2222   -6.0916    0.0000 C   0  0  1  0  0  0           0  0  0
    3.2222   -6.8041    0.0000 C   0  0  2  0  0  0           0  0  0
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 28 29  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 13 14  1  0     0  0
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 17 18  1  0     0  0
  4  5  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
  5  6  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 29 30  1  0     0  0
 36 37  2  0     0  0
 36 38  1  0     0  0
 31 39  1  6     0  0
 32 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 40 43  1  6     0  0
 31 32  1  0     0  0
 31 35  1  0     0  0
 32 33  1  6     0  0
 35 34  1  6     0  0
 35 36  1  0     0  0
 34 44  1  0     0  0
 33 44  1  0     0  0
 44 45  1  0     0  0
 44 46  2  0     0  0
 45 47  1  0     0  0
 47 48  2  0     0  0
 54 55  2  0     0  0
 54 56  1  0     0  0
 49 57  1  1     0  0
 50 58  1  0     0  0
 58 59  1  0     0  0
 59 60  1  0     0  0
 58 61  1  1     0  0
 49 50  1  0     0  0
 49 53  1  0     0  0
 50 51  1  1     0  0
 53 52  1  1     0  0
 53 54  1  0     0  0
 52 47  1  0     0  0
 51 47  1  0     0  0
M  CHG  5   1   1   2   1   3   1  38  -1  56  -1
M  END

$$$$
D09BDE
  -OEChem-04152111242D

 55 56  0     1  0  0  0  0  0999 V2000
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 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
M  END

$$$$
D09BDH
          09190700062D 1   1.00000     0.00000     0

 29 32  0     0  0            999 V2000
   -2.1228    0.8162    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.7622    1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5487    1.2304    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8598    1.0796    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.2898    2.4248    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.6013    2.2772    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3866    1.6046    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3018    1.4555    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7762    1.9782    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5574    2.6522    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1306    2.7982    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6935    1.2360    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4687    1.9062    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.9363    2.4341    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6287    2.2929    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8510    1.6191    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3820    1.0940    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.0993    2.8223    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.0313    3.1787    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4688    1.8294    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1292    0.1083    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5189   -0.2513    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5253   -0.9596    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9023    0.0973    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.2921   -0.2623    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3245    0.0863    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9347   -0.2733    0.0000 N   0  0  3  0  0  0           0  0  0
    1.5513    0.0753    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9284   -0.9816    0.0000 C   0  0  0  0  0  0           0  0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
  6  5  2  0     0  0
 14 15  2  0     0  0
  5  2  1  0     0  0
 15 16  1  0     0  0
 12  1  1  0     0  0
 16 17  2  0     0  0
 17 12  1  0     0  0
  1  3  1  0     0  0
 15 18  1  0     0  0
  6  7  1  0     0  0
 10 19  1  0     0  0
  9 20  1  0     0  0
  7  8  1  0     0  0
  1 21  1  0     0  0
 21 22  1  0     0  0
  8  9  2  0     0  0
 22 23  2  0     0  0
  2  3  2  0     0  0
 22 24  1  0     0  0
  9 10  1  0     0  0
 24 25  1  0     0  0
  2 13  1  0     0  0
 25 26  1  0     0  0
 10 11  2  0     0  0
 26 27  1  0     0  0
 11  6  1  0     0  0
 27 28  1  0     0  0
  3  4  1  0     0  0
 27 29  1  0     0  0
  4  7  2  0     0  0
M  END

$$$$
D09BEG
  -OEChem-10101305022D

 40 41  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 S   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
    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
    5.4641    2.2500    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    0.7500    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
    3.7320    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
    3.7320   -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    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
    2.8660   -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
    8.9282    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
    6.3301    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.5600    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
    6.3301    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3700    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
    5.4641   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    2.7869    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
    5.4641   -4.3700    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
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  3 18  1  0  0  0  0
  3 22  1  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  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  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
  8 23  1  0  0  0  0
 10 14  2  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 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  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  1  0  0  0  0
 18 20  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
 21 35  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

$$$$
D09BNZ
  -OEChem-10191523072D

 61 64  0     1  0  0  0  0  0999 V2000
    3.0000   -6.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    6.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0622    6.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3301    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2742    4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196    5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1181    4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2382    5.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7741    7.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1541    5.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3301   -3.6200    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
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 39  1  0  0  0  0
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 14 44  1  0  0  0  0
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 15 42  1  0  0  0  0
 15 46  1  0  0  0  0
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 17 18  2  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
 19 20  2  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 25 30  2  0  0  0  0
 25 31  1  0  0  0  0
 26 29  1  0  0  0  0
 26 52  1  0  0  0  0
 27 29  2  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
 29 57  1  0  0  0  0
 30 32  1  0  0  0  0
 30 58  1  0  0  0  0
 31 33  2  0  0  0  0
 31 59  1  0  0  0  0
 32 34  2  0  0  0  0
 32 60  1  0  0  0  0
 33 34  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D09BOH
          02250900072D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
    3.7479   -3.1948    0.0000 N   0  0  3  0  0  0           0  0  0
    2.5062   -1.0450    0.0000 N   0  0  0  0  0  0           0  0  0
    3.3312   -1.0450    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7479   -1.7615    0.0000 N   0  0  0  0  0  0           0  0  0
    3.3312   -2.4782    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5062   -2.4782    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0895   -3.1948    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2645   -3.1948    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8520   -2.4782    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2645   -1.7615    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0895   -1.7615    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7479   -0.3284    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3312   -3.9113    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5729   -3.1948    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9895   -2.4782    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8145   -2.4782    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2270   -3.1948    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8145   -3.9113    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9895   -3.9113    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0562   -3.1948    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4687   -3.9113    0.0000 C   0  0  0  0  0  0           0  0  0
  3  2  1  0     0  0
  4  3  2  0     0  0
  5  4  1  0     0  0
  6  5  2  0     0  0
  7  6  1  0     0  0
  8  7  2  0     0  0
  9  8  1  0     0  0
 10  9  2  0     0  0
 11 10  1  0     0  0
 11  2  2  0     0  0
 11  6  1  0     0  0
  3 12  1  0     0  0
  1  5  1  0     0  0
  1 13  1  0     0  0
 15 14  1  0     0  0
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 19 18  1  0     0  0
 19 14  2  0     0  0
 20 21  1  0     0  0
 17 20  1  0     0  0
  1 14  1  0     0  0
M  END

$$$$
D09BPN
  -OEChem-10121500572D

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 46 81  1  0  0  0  0
 47 48  1  0  0  0  0
M  END

$$$$
D09BTK
  -OEChem-04152109392D

104108  0     1  0  0  0  0  0999 V2000
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   13.2853    2.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8886    3.4776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0921    0.4002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 32  1  0  0  0  0
 27 33  1  6  0  0  0
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 40 41  1  0  0  0  0
 40 91  1  0  0  0  0
 41 43  1  0  0  0  0
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 43 44  2  0  0  0  0
 43 95  1  0  0  0  0
 44 45  1  0  0  0  0
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 46 47  1  0  0  0  0
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 47 48  1  0  0  0  0
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 47100  1  0  0  0  0
 48 49  1  0  0  0  0
 48101  1  0  0  0  0
 48102  1  0  0  0  0
 49103  1  0  0  0  0
 49104  1  0  0  0  0
M  CHG  2   9  -1  11   1
M  END

$$$$
D09BZS
  -OEChem-03141904492D

 67 71  0     0  0  0  0  0  0999 V2000
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    5.5676   -5.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1267    3.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    1.3595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2048    2.0498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3297    3.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3297    0.9672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1267    0.9672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6501    3.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2516    2.8345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6723    2.8595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0708    3.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2482    5.0247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    4.3345    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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  3 17  1  0  0  0  0
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  8 23  1  0  0  0  0
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  9 28  1  0  0  0  0
 10 34  1  0  0  0  0
 10 37  1  0  0  0  0
 10 64  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
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 13 46  1  0  0  0  0
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 14 45  1  0  0  0  0
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 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 20  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 29  2  0  0  0  0
 26 28  2  0  0  0  0
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 27 32  2  0  0  0  0
 27 33  1  0  0  0  0
 28 57  1  0  0  0  0
 29 31  1  0  0  0  0
 29 56  1  0  0  0  0
 30 31  2  0  0  0  0
 30 58  1  0  0  0  0
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 38 39  2  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
M  END

$$$$
D09BZY
  -OEChem-02041520412D

 59 59  0     1  0  0  0  0  0999 V2000
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    2.5244    8.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    7.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1309    5.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    8.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    9.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796   10.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810   11.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    8.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    8.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469   10.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    8.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130   11.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   11.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930   10.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0021    5.5185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 59  1  0  0  0  0
  2 20  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  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 11  1  0  0  0  0
  6 20  1  0  0  0  0
  6 43  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  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
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  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 21  1  0  0  0  0
 16 44  1  0  0  0  0
 17 22  2  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
 18 48  1  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 23  1  0  0  0  0
 21 24  2  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 26  1  0  0  0  0
 24 54  1  0  0  0  0
 25 27  1  0  0  0  0
 25 55  1  0  0  0  0
 26 28  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 29  1  0  0  0  0
 28 58  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D09CCZ
          07221001132D 1   1.00000     0.00000     0

 42 46  0     1  0            999 V2000
    4.7959   -2.5958    0.0000 N   0  0  3  0  0  0           0  0  0
    4.7375   -1.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1292   -1.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1292   -2.3833    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7834   -3.6417    0.0000 C   0  0  1  0  0  0           0  0  0
    5.1959   -2.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7375   -0.6375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1292   -0.2875    0.0000 N   0  0  0  0  0  0           0  0  0
    3.5250   -1.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5667   -4.3084    0.0000 C   0  0  1  0  0  0           0  0  0
    3.5250   -0.6375    0.0000 N   0  0  3  0  0  0           0  0  0
    4.2250   -3.2500    0.0000 O   0  0  0  0  0  0           0  0  0
    3.8833   -4.3084    0.0000 C   0  0  1  0  0  0           0  0  0
    3.6708   -3.6417    0.0000 C   0  0  1  0  0  0           0  0  0
    3.5250   -2.7250    0.0000 N   0  0  0  0  0  0           0  0  0
    2.9292   -1.6917    0.0000 N   0  0  0  0  0  0           0  0  0
    2.9292   -2.3833    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3334   -0.3000    0.0000 N   0  0  0  0  0  0           0  0  0
    4.9834   -4.8625    0.0000 O   0  0  0  0  0  0           0  0  0
    3.4750   -4.8625    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9292   -0.2958    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0584   -3.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4750   -3.6542    0.0000 O   0  0  0  0  0  0           0  0  0
    5.3959   -3.9959    0.0000 H   0  0  0  0  0  0           0  0  0
    1.8557   -3.3104    0.0000 P   0  0  3  0  0  0           0  0  0
    1.2434   -3.6669    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2468   -4.3776    0.0000 C   0  0  2  0  0  0           0  0  0
    0.6437   -4.7345    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8694   -4.7220    0.0000 C   0  0  3  0  0  0           0  0  0
    2.4725   -4.3651    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8766   -5.4306    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6472   -5.4453    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0273   -4.3865    0.0000 O   0  0  0  0  0  0           0  0  0
    2.2042   -2.6917    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4958   -2.6917    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7875   -2.6939    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4340   -2.0813    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2737   -2.0833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6266   -2.6983    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2667   -3.3127    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4398   -3.3077    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5827   -4.7466    0.0000 C   0  0  0  0  0  0           0  0  0
 18  7  1  0     0  0
 10 19  1  6     0  0
 13 20  1  6     0  0
 21 11  1  0     0  0
 14 22  1  1     0  0
 23 22  1  0     0  0
  5 24  1  6     0  0
  3  2  1  0     0  0
 13 14  1  0     0  0
 16  9  2  0     0  0
 11  8  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
  2  6  2  0     0  0
 27 28  1  0     0  0
  3  4  2  0     0  0
 27 29  1  1     0  0
  4  1  1  0     0  0
 29 30  1  0     0  0
  5  1  1  0     0  0
 29 31  1  0     0  0
  6  1  1  0     0  0
 28 32  2  0     0  0
  7  2  1  0     0  0
 28 33  1  0     0  0
  8  7  2  0     0  0
 25 34  2  0     0  0
  9  3  1  0     0  0
 25 35  1  0     0  0
 10  5  1  0     0  0
 35 36  1  0     0  0
 11  9  1  0     0  0
 36 37  2  0     0  0
 12  5  1  0     0  0
 37 38  1  0     0  0
 13 10  1  0     0  0
 38 39  2  0     0  0
 14 12  1  0     0  0
 39 40  1  0     0  0
 15  4  1  0     0  0
 40 41  2  0     0  0
 41 36  1  0     0  0
 16 17  1  0     0  0
 33 42  1  0     0  0
 17 15  2  0     0  0
M  END

$$$$
D09CIF
  -OEChem-04152122292D

 44 46  0     0  0  0  0  0  0999 V2000
    2.3199    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8167    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8149    8.9158    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.0682    1.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2611    5.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5619    3.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    1.0104    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.5984    1.0104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    3.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    2.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    2.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    4.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    3.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    3.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    4.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    4.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    2.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    2.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    5.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    5.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    6.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9191    4.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6183    6.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    3.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    3.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653    4.2246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    2.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2700    2.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712    5.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653    5.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    6.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    0.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1365    1.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960    0.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0933    6.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198    6.8889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1434    6.0155    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
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 28  2  0  0  0  0
  7 21  2  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 22  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 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  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
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 23  2  0  0  0  0
 15 30  1  0  0  0  0
 16 24  2  0  0  0  0
 16 31  1  0  0  0  0
 17 25  2  0  0  0  0
 17 28  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 26  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 25 27  1  0  0  0  0
 25 35  1  0  0  0  0
 26 27  2  0  0  0  0
 26 36  1  0  0  0  0
 27 37  1  0  0  0  0
 29 42  1  0  0  0  0
 29 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D09CLC
  -OEChem-03141904452D

 55 59  0     0  0  0  0  0  0999 V2000
    5.5161   -1.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0161   -2.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0161   -0.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    0.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0482    0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0482    1.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9191   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1349   -0.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1349    2.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    0.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5839    0.3571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5839    2.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    1.9993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045   -0.4993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.3336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9191    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6720   -4.3100    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 23  1  0  0  0  0
  2 13  1  0  0  0  0
  2 47  1  0  0  0  0
  3 17  1  0  0  0  0
  3 50  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 36  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
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 12 19  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 26  2  0  0  0  0
 17 22  1  0  0  0  0
 18 24  1  0  0  0  0
 18 37  1  0  0  0  0
 19 25  1  0  0  0  0
 19 38  1  0  0  0  0
 20 27  1  0  0  0  0
 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
 23 29  2  0  0  0  0
 23 30  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 28  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 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 51  1  0  0  0  0
 32 33  1  0  0  0  0
 32 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END

$$$$
D09CUR
  -OEChem-04152122292D

 48 45  0     0  0  0  0  0  0999 V2000
   18.4545    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
    2.8660    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.5885   -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
   16.7224    1.2500    0.0000 O   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
   12.3923   -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
   11.5263    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
   13.2583    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
   10.6603   -0.2500    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
   12.3923   -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
   14.1244   -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
   14.9904    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
   15.8564   -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
   15.8564   -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
   16.7224    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.8700    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
   13.2583    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7723   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0123   -1.2500    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
   14.1244   -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
   14.9904    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
   15.2364   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4764   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 25  2  0  0  0  0
  6 26  2  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 11 17  2  0  0  0  0
 11 29  1  0  0  0  0
 12 18  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 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 36  1  0  0  0  0
 16 37  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
 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 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  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 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END

$$$$
D09CZS
  -OEChem-02041521072D

 50 54  0     1  0  0  0  0  0999 V2000
    4.9209    0.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3844    4.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2784    2.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7704    2.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1544    4.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -0.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364    1.0718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9140   -1.2288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994    0.4047    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2784    2.5786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3684    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5024    0.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5024    2.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3045   -0.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932   -0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3684    1.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7684    1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4864    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    3.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8680   -1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4993   -2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2584    0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530   -0.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0147   -3.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1459   -3.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6412   -4.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7140   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7376    1.0032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2387    1.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2479    2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2683    4.1937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8772    3.4978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7917    0.5305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5821    2.0266    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 25  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
 10  3  1  1  0  0  0
  3 41  1  0  0  0  0
  4 17  2  0  0  0  0
  5 20  2  0  0  0  0
  6 28  1  0  0  0  0
  6 50  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8 15  2  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  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 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 16 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 35  1  0  0  0  0
 19 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  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 28  1  0  0  0  0
 25 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
 27 30  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
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END

$$$$
D09DFB
  SciTegic10301317112D

 30 31  0  0  1  0            999 V2000
   -0.9320   -3.1060    0.0000 N   0  0
   -1.1035   -3.9130    0.0000 C   0  0
    0.5361   -3.1829    0.0000 C   0  0
   -0.1783   -2.7704    0.0000 C   0  0  2  0  0  0
    4.8230   -4.0079    0.0000 C   0  0
   -1.8881   -4.1679    0.0000 C   0  0  1  0  0  0
    1.2506   -2.7704    0.0000 N   0  0
    5.5374   -4.4204    0.0000 N   0  0
   -0.4904   -4.4650    0.0000 O   0  0
    0.5361   -4.0079    0.0000 O   0  0
   -2.0597   -4.9749    0.0000 C   0  0
    4.8230   -3.1829    0.0000 N   0  0
    4.1085   -4.4204    0.0000 N   0  0
    2.6796   -4.4204    0.0000 O   0  0
   -2.5012   -3.6159    0.0000 N   0  0
   -1.4840   -2.4929    0.0000 C   0  0
    1.9651   -4.0079    0.0000 C   0  0
   -2.8443   -5.2298    0.0000 C   0  0
    1.9651   -3.1829    0.0000 C   0  0  2  0  0  0
   -0.2646   -1.9500    0.0000 C   0  0
   -1.0715   -1.7784    0.0000 C   0  0
    4.1085   -2.7704    0.0000 C   0  0
   -3.2859   -3.8708    0.0000 C   0  0
   -3.4574   -4.6778    0.0000 C   0  0
   -3.0158   -6.0368    0.0000 C   0  0
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   -3.8004   -6.2917    0.0000 C   0  0
   -4.2420   -4.9327    0.0000 C   0  0
   -4.4135   -5.7397    0.0000 C   0  0
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  4  3  1  1
  4  1  1  0
  5 12  2  0
  6  2  1  0
  7  3  1  0
  8  5  1  0
  9  2  2  0
 10  3  2  0
  6 11  1  1
 12 22  1  0
 13  5  1  0
 14 17  2  0
 15  6  1  0
 16  1  1  0
 17 19  1  0
 18 11  1  0
 19  7  1  0
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 21 20  1  0
 29 30  2  0
M  END

$$$$
D09DHT
  -OEChem-10191522352D

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M  END

$$$$
D09DIB
  -OEChem-08301509482D

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 18 21  1  0  0  0  0
 18 45  1  0  0  0  0
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 20 24  2  0  0  0  0
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 21 23  2  0  0  0  0
 21 47  1  0  0  0  0
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 22 48  1  0  0  0  0
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 25 27  2  0  0  0  0
 25 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
M  END

$$$$
D09DJC
  -OEChem-04152122282D

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 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
M  END

$$$$
D09DJO
          04240700302D 1   1.00000     0.00000     0

 27 29  0     0  0            999 V2000
    1.6916   -1.4958    0.0000 O   0  0  0  0  0  0           0  0  0
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 14 15  2  0     0  0
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 17 12  1  0     0  0
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 15 19  1  0     0  0
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 18 20  2  0     0  0
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 18 21  1  0     0  0
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 11  6  1  0     0  0
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 21 24  1  0     0  0
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 23 25  1  0     0  0
 24 26  1  0     0  0
 12 13  2  0     0  0
 25 27  1  0     0  0
M  END

$$$$
D09DLP
          09081001182D 1   1.00000     0.00000     0

  8  7  0     0  0            999 V2000
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  4  1  1  0     0  0
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  6  8  1  0     0  0
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  8  7  1  0     0  0
M  END

$$$$
D09DUQ
          11080800062D 1   1.00000     0.00000     0

 11 12  0     0  0            999 V2000
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 11  9  1  0     0  0
  5  3  1  0     0  0
  9  7  1  0     0  0
M  END

$$$$
D09DXX
  -OEChem-04152111282D

 33 34  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D09EFC
  -OEChem-10101305032D

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M  END

$$$$
D09EHO
  -OEChem-10101305022D

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 17 33  1  0  0  0  0
 19 22  1  0  0  0  0
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 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
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 24 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

$$$$
D09ENR
  -OEChem-04152110162D

 78 85  0     1  0  0  0  0  0999 V2000
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 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 68  1  0  0  0  0
 29 33  1  0  0  0  0
 29 36  2  0  0  0  0
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 30 32  2  0  0  0  0
 30 35  1  0  0  0  0
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 44 45  2  0  0  0  0
 44 77  1  0  0  0  0
 45 78  1  0  0  0  0
M  END

$$$$
D09EPU
          06171000272D 1   1.00000     0.00000     0

 11 10  0     1  0            999 V2000
   -0.3792   -1.4375    0.0000 N   0  0  0  0  0  0           0  0  0
    0.2343   -1.0833    0.0000 C   0  0  2  0  0  0           0  0  0
    0.8477   -1.4375    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.2343    1.0417    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4611   -0.3750    0.0000 F  -1  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  2  6  1  1     0  0
  6  7  1  0     0  0
  2  3  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  3  4  1  0     0  0
  8 10  2  0     0  0
  7 11  1  0     0  0
  3  5  2  0     0  0
M  ISO  1  11  18
M  END

$$$$
D09ETH
  -OEChem-10191523022D

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    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 46 83  1  0  0  0  0
M  END

$$$$
D09GEK
  -OEChem-10121501452D

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M  END

$$$$
D09GHO
  -OEChem-10121504082D

 48 51  0     0  0  0  0  0  0999 V2000
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  1 26  1  0  0  0  0
  2 20  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
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  4 40  1  0  0  0  0
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  5 44  1  0  0  0  0
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  7  9  1  0  0  0  0
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  8 28  1  0  0  0  0
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  9 34  1  0  0  0  0
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 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 36  1  0  0  0  0
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 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
 16 41  1  0  0  0  0
 17 19  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 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
M  END

$$$$
D09GVI
          12060802292D 1   1.00000     0.00000     0

 21 21  0     0  0            999 V2000
    2.7583   -0.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3718    0.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9852   -0.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5986    0.3000    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9852   -0.7625    0.0000 O   0  0  0  0  0  0           0  0  0
    2.1449    0.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5315   -0.0542    0.0000 O   0  0  0  0  0  0           0  0  0
    2.1449    1.0083    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8386    1.0232    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1302    1.0232    0.0000 N   0  0  0  0  0  0           0  0  0
    0.0891    0.3515    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4844   -0.0685    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.8985    0.0167    0.0000 C   0  0  0  0  0  0           0  0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13  9  1  0     0  0
  9 14  1  0     0  0
  1  6  1  0     0  0
 13 15  1  0     0  0
  1  2  2  0     0  0
 15 16  1  0     0  0
  6  7  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
  6  8  2  0     0  0
 18 19  2  0     0  0
  9 10  2  0     0  0
 19 20  1  0     0  0
  2  3  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
M  END

$$$$
D09HFJ
  -OEChem-02041520522D

 31 32  0     1  0  0  0  0  0999 V2000
    5.1350   -0.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7494   -1.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1754    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7610    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3991    0.7029    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 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 13  1  0  0  0  0
  3 27  1  0  0  0  0
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  6 18  2  0  0  0  0
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 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 21  1  0  0  0  0
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 13 17  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
 16 17  2  0  0  0  0
 17 26  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

$$$$
D09HFS
  -OEChem-04152110072D

 64 65  0     1  0  0  0  0  0999 V2000
    7.0597    1.0369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3991    8.7293    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.2635    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 37  1  0  0  0  0
  2 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 35  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 19  2  0  0  0  0
  7 31  2  0  0  0  0
  8 64  1  0  0  0  0
 17 11  1  6  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 19  1  0  0  0  0
 12 21  1  0  0  0  0
 12 49  1  0  0  0  0
 13 20  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 26  1  0  0  0  0
 14 59  1  0  0  0  0
 14 60  1  0  0  0  0
 15 16  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 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 43  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
 21 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  2  0  0  0  0
 22 31  1  0  0  0  0
 23 25  1  0  0  0  0
 23 29  2  0  0  0  0
 23 30  1  0  0  0  0
 24 33  2  0  0  0  0
 25 34  2  0  0  0  0
 26 35  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  2  0  0  0  0
 32 36  1  0  0  0  0
 34 53  1  0  0  0  0
 36 56  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  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

$$$$
D09HJS
          11280714512D 1   1.00000     0.00000     0

 58 67  0     1  0            999 V2000
    0.1042   -1.8042    0.0000 N   0  0  3  0  0  0           0  0  0
   10.3542   -5.1917    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.6833   -1.5542    0.0000 C   0  0  0  0  0  0           0  0  0
   11.1292   -5.4667    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6292   -4.8042    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6833   -0.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9417   -5.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1542   -2.7667    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7292   -5.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3542   -2.5917    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3958   -0.3167    0.0000 C   0  0  0  0  0  0           0  0  0
   12.4500   -4.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4125   -3.5542    0.0000 N   0  0  0  0  0  0           0  0  0
    8.2667   -5.9167    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.1083   -0.7292    0.0000 C   0  0  0  0  0  0           0  0  0
   12.7750   -5.6625    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1042   -0.4750    0.0000 C   0  0  1  0  0  0           0  0  0
   11.1625   -4.1292    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.7250   -0.1667    0.0000 N   0  0  0  0  0  0           0  0  0
   13.6000   -5.5792    0.0000 N   0  0  0  0  0  0           0  0  0
   10.3750   -4.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5875   -1.1417    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4542   -6.2250    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3958   -1.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8292   -2.2875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7042   -4.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2000   -3.7000    0.0000 C   0  0  0  0  0  0           0  0  0
   12.2667   -6.3292    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1083   -1.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5000   -2.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8875   -4.6417    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5708    0.4958    0.0000 C   0  0  0  0  0  0           0  0  0
   13.0750   -4.3625    0.0000 C   0  0  0  0  0  0           0  0  0
   13.7792   -4.7792    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3833    0.5750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2292   -3.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6125   -5.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6625   -3.0792    0.0000 N   0  0  0  0  0  0           0  0  0
    6.0125   -3.5417    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.1958   -3.2042    0.0000 O   0  0  0  0  0  0           0  0  0
    9.8875   -6.5417    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3542   -4.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3042   -2.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8500   -3.2375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5500   -4.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9292   -4.4667    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7750   -4.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8042   -5.5667    0.0000 C   0  0  0  0  0  0           0  0  0
   12.5792   -7.1042    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.8333   -1.9750    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3542    0.3125    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4292   -3.3417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2750   -4.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5792   -4.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1625    0.4875    0.0000 Cl  0  0  0  0  0  0           0  0  0
   10.8875   -2.7167    0.0000 Cl  0  0  0  0  0  0           0  0  0
   13.0125   -3.5375    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0125    1.1083    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  2  1  0     0  0
  5  4  2  0     0  0
  6  3  1  0     0  0
  7 26  2  0     0  0
  8 10  1  0     0  0
  9  7  1  0     0  0
 10  1  1  0     0  0
 11  6  2  0     0  0
 12  5  1  0     0  0
 13  8  1  0     0  0
 14 37  1  0     0  0
 15 29  2  0     0  0
 16 28  1  0     0  0
 17 22  1  0     0  0
 18 21  1  0     0  0
 19 15  1  0     0  0
 20 16  1  0     0  0
 21  2  1  0     0  0
 22  1  1  0     0  0
 23  4  1  0     0  0
 24  3  2  0     0  0
 25  8  2  0     0  0
 26 31  1  0     0  0
 27 38  1  0     0  0
 28 23  2  0     0  0
 29 24  1  0     0  0
 30 25  1  0     0  0
 31 42  2  0     0  0
 32 11  1  0     0  0
 33 12  1  0     0  0
 34 33  2  0     0  0
 35 32  2  0     0  0
 36 13  1  0     0  0
 37 48  2  0     0  0
 38 44  1  0     0  0
 39 27  1  0     0  0
 40 10  2  0     0  0
 41  9  2  0     0  0
 42 45  1  0     0  0
 43 30  1  0     0  0
 44 43  2  0     0  0
 45 39  1  0     0  0
 46 27  2  0     0  0
 47 36  1  0     0  0
 48 53  1  0     0  0
 49 28  1  0     0  0
 50 29  1  0     0  0
 17 51  1  6     0  0
 18 52  1  1     0  0
 53 45  2  0     0  0
 54 47  2  0     0  0
 55 51  1  0     0  0
 56 52  1  0     0  0
 57 33  1  0     0  0
 58 32  1  0     0  0
  6 17  1  0     0  0
 36 30  2  0     0  0
 11 15  1  0     0  0
 19 35  1  0     0  0
 44 54  1  0     0  0
 37 31  1  0     0  0
  7 14  1  0     0  0
 18  5  1  0     0  0
 16 12  2  0     0  0
 34 20  1  0     0  0
M  END

$$$$
D09HOW
          09290700152D 1   1.00000     0.00000     0

 27 29  0     0  0            999 V2000
    1.2069   -6.8583    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2057   -7.5690    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8206   -7.9235    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4328   -7.5685    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4300   -6.8547    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8188   -6.5039    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0473   -7.9209    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6597   -7.5649    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5935   -6.5041    0.0000 F   0  0  0  0  0  0           0  0  0
    4.2714   -7.9198    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2629   -6.5031    0.0000 N   0  0  0  0  0  0           0  0  0
    3.6535   -6.8605    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8817   -6.8553    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8811   -7.5612    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4912   -7.9131    0.0000 N   0  0  3  0  0  0           0  0  0
    6.1022   -7.5601    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0993   -6.8515    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4888   -6.5028    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7112   -6.4946    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3262   -6.8461    0.0000 N   0  0  0  0  0  0           0  0  0
    6.7081   -5.7863    0.0000 O   0  0  0  0  0  0           0  0  0
    7.9381   -6.4893    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5531   -6.8407    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1649   -6.4839    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7164   -7.9129    0.0000 O   0  0  0  0  0  0           0  0  0
    5.4915   -8.6214    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4862   -5.7945    0.0000 O   0  0  0  0  0  0           0  0  0
  6  1  1  0     0  0
  1  2  2  0     0  0
 13 14  2  0     0  0
  4  7  1  0     0  0
 14 15  1  0     0  0
  3  4  2  0     0  0
 15 16  1  0     0  0
  7  8  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
  1  9  1  0     0  0
 17 19  1  0     0  0
  4  5  1  0     0  0
 19 20  1  0     0  0
  8 10  2  0     0  0
 19 21  2  0     0  0
 10 14  1  0     0  0
 20 22  1  0     0  0
  2  3  1  0     0  0
 22 23  1  0     0  0
 13 11  1  0     0  0
 23 24  1  0     0  0
  5  6  2  0     0  0
 16 25  2  0     0  0
 11 12  2  0     0  0
 15 26  1  0     0  0
 12  8  1  0     0  0
 18 27  1  0     0  0
M  END

$$$$
D09INF
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
    8.9446   -1.7846    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 O   0  5  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
    5.4641   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 N   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
    8.0622    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
    7.1962   -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
    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
    8.9561    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.7847    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
    9.8622    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2708    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
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    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
    5.2087    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    1.9046    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
    7.1962    2.8700    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
   10.3979    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.5829    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
    3.1951    1.5600    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
    2.8660    0.3700    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
    1.4631   -0.4400    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   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  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 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 14 21  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  0  0  0  0
 17 22  2  0  0  0  0
 17 23  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
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  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 42  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END

$$$$
D09IRN
  -OEChem-10191523072D

 47 49  0     0  0  0  0  0  0999 V2000
    2.0000   -4.1756    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7839    4.3914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1964    2.4344    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2793    4.5696    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6365    2.8748    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010    2.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -0.2636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.9803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1226   -0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4118    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9911    3.8263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3978    3.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7760    3.0298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  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
  5 28  1  0  0  0  0
  6 23  1  0  0  0  0
  6 26  1  0  0  0  0
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  7 15  1  0  0  0  0
  7 34  1  0  0  0  0
  8 13  1  0  0  0  0
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  8 37  1  0  0  0  0
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  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  1  0  0  0  0
 14 33  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 19  2  0  0  0  0
 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  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
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  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
 25 44  1  0  0  0  0
 26 27  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
 28 47  1  0  0  0  0
M  END

$$$$
D09IRQ
  -OEChem-10121501282D

 30 32  0     0  0  0  0  0  0999 V2000
    7.0871    1.4496    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    2.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2682    3.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    3.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848    3.1073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147    4.7566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2259    4.5873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 21  1  0  0  0  0
  3 30  1  0  0  0  0
  4 21  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  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 21  1  0  0  0  0
 13 15  2  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
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D09IYM
  -OEChem-04152111172D

 38 40  0     1  0  0  0  0  0999 V2000
    3.3100    5.0202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760    1.5202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -4.5186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -4.5186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.0202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3100    0.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -1.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5010   -3.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7130    1.2102    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
  6  2  1  1  0  0  0
  2 31  1  0  0  0  0
  3  8  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 38  1  0  0  0  0
  5 22  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  2  0  0  0  0
  7 11  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  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 18  1  0  0  0  0
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 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
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 14 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  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
 19 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END

$$$$
D09JEJ
  -OEChem-10121501522D

 37 40  0     0  0  0  0  0  0999 V2000
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    3.8000    1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6500    2.6150    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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 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END

$$$$
D09JES
  -OEChem-04152108552D

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 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
M  END

$$$$
D09JFY
  -OEChem-10101305022D

123128  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D09JGH
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M  END

$$$$
D09JGK
  -OEChem-10101305032D

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M  END

$$$$
D09JLI
  -OEChem-10121501512D

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M  END

$$$$
D09JXH
  -OEChem-04152111022D

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 48102  1  0  0  0  0
 49103  1  0  0  0  0
 49104  1  0  0  0  0
 49105  1  0  0  0  0
M  CHG  2   1  -1   7   1
M  END

$$$$
D09KNG
          10110500252D 1   1.00000     0.00000     0

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  2  1  2  0     0  0
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  8  2  1  0     0  0
  9  8  2  0     0  0
 10  7  1  0     0  0
 11 10  1  0     0  0
 12  2  1  0     0  0
 13  5  2  0     0  0
 14  7  2  0     0  0
 15 11  1  0     0  0
 16 15  1  0     0  0
 17  8  1  0     0  0
 18  9  1  0     0  0
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 22 15  2  0     0  0
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 26 20  1  0     0  0
 27 25  2  0     0  0
 28 21  2  0     0  0
 29 26  2  0     0  0
  9  4  1  0     0  0
 18 24  2  0     0  0
 28 29  1  0     0  0
 22 27  1  0     0  0
M  END

$$$$
D09KTI
  -OEChem-04152111272D

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 47 50  1  0  0  0  0
 47 51  1  0  0  0  0
 48100  1  0  0  0  0
 48101  1  0  0  0  0
 48102  1  0  0  0  0
 50103  1  0  0  0  0
 51 52  2  0  0  0  0
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 54104  1  0  0  0  0
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 55105  1  0  0  0  0
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 56106  1  0  0  0  0
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 57107  1  0  0  0  0
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 58109  1  0  0  0  0
 59110  1  0  0  0  0
 61 63  2  0  0  0  0
 61111  1  0  0  0  0
 62 63  1  0  0  0  0
 62112  1  0  0  0  0
 63113  1  0  0  0  0
 64114  1  0  0  0  0
 64115  1  0  0  0  0
 64116  1  0  0  0  0
 65117  1  0  0  0  0
 65118  1  0  0  0  0
 65119  1  0  0  0  0
M  END

$$$$
D09KYR
          06111002172D 1   1.00000     0.00000     0

 17 18  0     1  0            999 V2000
    3.9667   -3.0417    0.0000 C   0  0  1  0  0  0           0  0  0
    3.4042   -2.6917    0.0000 S   0  0  3  0  0  0           0  0  0
    4.6667   -3.4917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4917   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4167   -2.0042    0.0000 O   0  0  0  0  0  0           0  0  0
    4.6792   -4.2917    0.0000 S   0  0  0  0  0  0           0  0  0
    5.0792   -1.4125    0.0000 N   0  0  0  0  0  0           0  0  0
    5.2792   -3.1667    0.0000 N   0  0  0  0  0  0           0  0  0
    3.9792   -3.7375    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7875   -3.0250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4917   -1.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1000   -2.8125    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.8667   -3.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3667   -4.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7792   -3.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6917   -2.4417    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  1  3  1  6     0  0
  4  1  1  0     0  0
  5  2  2  0     0  0
  6  3  2  0     0  0
  7 11  1  0     0  0
  8  3  1  0     0  0
  9  1  1  0     0  0
 10  2  1  0     0  0
 11  4  2  0     0  0
 12  4  1  0     0  0
 13 17  1  0     0  0
 14  8  1  0     0  0
 15  9  1  0     0  0
 16 15  1  0     0  0
 17 12  2  0     0  0
 10 16  1  0     0  0
  7 13  2  0     0  0
M  END

$$$$
D09LEP
  -OEChem-04152122242D

 51 53  0     1  0  0  0  0  0999 V2000
    6.8970    0.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    0.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3929    1.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5839    1.8019    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4793    0.8074    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9807    2.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7996    0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1771    2.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7649    3.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3582    4.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7594    3.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0657    2.1921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8695    0.3255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4823    1.6587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3451    2.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    2.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2332    0.0484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0518   -0.2658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3660    0.5527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5605    2.7802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9246    4.6902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3760    3.3551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -5.0580    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 10  2  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  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 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
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  7 30  1  0  0  0  0
  8 31  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 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  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 38  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 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  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  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  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
 25 51  1  0  0  0  0
M  END

$$$$
D09LKR
  -OEChem-10101305032D

 31 32  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
    3.7320    4.3100    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
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    3.7320   -1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1900    0.0000 N   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
    4.5981    2.8100    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    3.8100    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
    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   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.6900    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
    2.2554    2.9177    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
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3 31  1  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 16  1  0  0  0  0
  5 17  2  0  0  0  0
  6 17  1  0  0  0  0
  6 30  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 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
 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 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
 17 29  1  0  0  0  0
M  END

$$$$
D09LPV
  -OEChem-04152122312D

 53 56  0     0  0  0  0  0  0999 V2000
    2.5896    3.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    1.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531   -2.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4003    1.1423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7093    0.1912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4493    1.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2413    2.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2093    1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7093    0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0184    1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D09LQK
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M  END

$$$$
D09LSY
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    2.8040    0.6766    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8040    1.1886    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.7500   -0.8083    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5954   -1.6131    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3580   -1.6076    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6902    0.6784    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5042    1.0667    0.0000 N   0  0  0  0  0  0           0  0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 13  1  0     0  0
 17 19  1  0     0  0
 15 18  1  1     0  0
 19 16  1  0     0  0
 14 20  1  6     0  0
 21 18  1  0     0  0
 22 18  1  0     0  0
 19 23  1  1     0  0
 13 24  1  6     0  0
 17 15  1  0     0  0
 10 11  2  0     0  0
 11  6  1  0     0  0
  6 12  1  0     0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
 29 31  1  0     0  0
 32 60  1  0     0  0
 32 33  1  1     0  0
 52 61  1  0     0  0
 40 62  1  6     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 37 26  1  0     0  0
 38 40  1  0     0  0
 26 38  1  0     0  0
 39 42  1  6     0  0
 40 39  1  0     0  0
 41 37  1  0     0  0
 35 44  1  0     0  0
 43 46  1  0     0  0
 32 39  1  0     0  0
 44 43  1  0     0  0
 45 41  1  0     0  0
 46 50  1  0     0  0
 47 32  1  0     0  0
 48 37  2  0     0  0
 49 38  2  0     0  0
 50 47  1  0     0  0
 43 51  1  1     0  0
 45 52  1  6     0  0
 50 53  1  6     0  0
 45 35  1  0     0  0
 46 54  2  0     0  0
 44 55  1  1     0  0
 55 30  1  0     0  0
 26 25  1  0     0  0
 26 27  1  1     0  0
 12 56  1  0     0  0
 28 56  1  0     0  0
 28 29  2  0     0  0
 33 31  1  0     0  0
 54 57  1  0     0  0
 30 29  1  0     0  0
 57 58  2  0     0  0
 57 59  1  0     0  0
 13 42  1  0     0  0
  5  1  1  0     0  0
 59 63  1  0     0  0
  9  1  1  0     0  0
  6  7  2  0     0  0
  3 64  1  0     0  0
  7  8  1  0     0  0
M  END

$$$$
D09MEV
          08120900112D 1   1.00000     0.00000     0

 24 27  0     0  0            999 V2000
    0.3138   -0.1241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6690    0.4931    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3862    0.4724    0.0000 N   0  0  3  0  0  0           0  0  0
    0.3138   -1.3517    0.0000 N   0  3  0  0  0  0           0  0  0
   -0.6690    1.7414    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8552    0.1483    0.0000 N   0  0  0  0  0  0           0  0  0
    2.4310   -0.1448    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3966    1.7000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3759   -1.9690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6690   -2.1828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8345    2.1138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3241    2.3276    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5552    1.1414    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4310   -1.4000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5448    0.4621    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3862   -3.2172    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3345    3.2310    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7724    1.2552    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4862   -2.0310    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3690   -3.8241    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5379    3.3621    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2897    2.3690    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4862   -3.2069    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0793   -1.3517    0.0000 Cl  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
  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
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  7 15  2  0     0  0
  9 16  1  0     0  0
 11 17  1  0     0  0
 13 18  1  0     0  0
 14 19  1  0     0  0
 16 20  2  0     0  0
 17 21  2  0     0  0
 18 22  2  0     0  0
 19 23  2  0     0  0
  8 12  1  0     0  0
  9 14  2  0     0  0
 11 13  2  0     0  0
 20 23  1  0     0  0
 21 22  1  0     0  0
M  CHG  2   4   1  24  -1
M  END

$$$$
D09MHC
  -OEChem-04152111292D

 90 90  0     1  0  0  0  0  0999 V2000
    3.5400    8.8232    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    6.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6278    3.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8861  -11.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9579   -1.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602   11.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6900   -2.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278    6.4753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4220   -7.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2880  -11.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598    3.4753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239   -3.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   10.4412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0201  -12.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278    8.0142    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1278    8.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188    7.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4368    7.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278    5.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2880   -9.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2880   -8.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1541  -10.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4220   -8.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4938    4.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5560   -6.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5560   -5.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1541  -11.0247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9467    9.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6900   -5.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   10.5457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4938    3.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6900   -4.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0201  -11.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598    2.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657   11.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2259    1.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239   -2.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9579   -2.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0919    0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0919   -0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4093    8.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0172    5.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4157    4.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6775   -9.4170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8986   -8.6324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5001   -7.9421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3661   -9.4421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8114   -7.9170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2100   -8.6073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1666   -5.6324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3005   -4.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2880  -12.1447    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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  3 21  2  0  0  0  0
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 10 40  2  0  0  0  0
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 12 26  1  0  0  0  0
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 30 13  1  1  0  0  0
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 14 34  1  0  0  0  0
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 14 74  1  0  0  0  0
 15 35  1  0  0  0  0
 15 40  1  0  0  0  0
 15 77  1  0  0  0  0
 33 16  1  6  0  0  0
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 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
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 22 27  1  0  0  0  0
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 23 24  1  0  0  0  0
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 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
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 25 30  1  0  0  0  0
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 27 34  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 32  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 36  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
 31 65  1  0  0  0  0
 32 35  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 38  1  0  0  0  0
 33 69  1  0  0  0  0
 35 70  1  0  0  0  0
 35 71  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
 39 80  1  0  0  0  0
 39 81  1  0  0  0  0
 40 41  1  0  0  0  0
 41 84  1  0  0  0  0
 41 85  1  0  0  0  0
 42 43  1  0  0  0  0
 42 86  1  0  0  0  0
 42 87  1  0  0  0  0
 43 88  1  0  0  0  0
 43 89  1  0  0  0  0
M  END

$$$$
D09MIN
  -OEChem-10111523172D

 68 71  0     1  0  0  0  0  0999 V2000
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    2.0000   -0.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6456   -0.9351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    2.8142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3057    3.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136    2.0939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0488    3.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 68  1  0  0  0  0
M  END

$$$$
D09NAW
  -OEChem-04152111262D

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 30 32  2  0  0  0  0
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M  END

$$$$
D09NST
  -OEChem-10101305032D

 58 60  0     0  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
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  3 28  1  0  0  0  0
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  4  5  2  0  0  0  0
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  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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 10 16  1  0  0  0  0
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 17 40  1  0  0  0  0
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 18 41  1  0  0  0  0
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 20 43  1  0  0  0  0
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 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 26  1  0  0  0  0
 23 48  1  0  0  0  0
 24 27  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 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

$$$$
D09NTC
  -OEChem-10101305032D

 44 47  0     0  0  0  0  0  0999 V2000
   11.2071    1.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2077   -0.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0363   -1.7404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9944   -1.2598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5607   -0.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6086    1.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0096   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -0.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2321    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8709   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8094   -1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1604    0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9777   -1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5774   -0.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830   -0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660    0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833   -1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   -2.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    1.3343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266    0.5806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7466    2.2359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    1.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8776    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -2.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4346   -0.4233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5253    0.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3230   -2.0854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545    0.1445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6519   -2.7403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3835   -1.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346   -1.7708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  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
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 29  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
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  7 25  1  0  0  0  0
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  8 12  1  0  0  0  0
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 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
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 14 16  1  0  0  0  0
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 16 34  1  0  0  0  0
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 18 33  1  0  0  0  0
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 20 35  1  0  0  0  0
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 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  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

$$$$
D09NTG
  -OEChem-10121500242D

 80 83  0     1  0  0  0  0  0999 V2000
   14.0317    3.8023    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0628    0.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9506   -4.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -4.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1212    0.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0102    4.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8255    4.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2379    2.8238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7640    2.4393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288   -1.1294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9288   -2.1294    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628   -2.6294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 35 78  1  0  0  0  0
 35 79  1  0  0  0  0
M  END

$$$$
D09OCK
  -OEChem-04152109382D

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 36 69  1  0  0  0  0
M  END

$$$$
D09OHR
  -OEChem-04152110492D

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 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 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 57  1  0  0  0  0
 24 25  2  0  0  0  0
 24 58  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  2  0  0  0  0
 27 29  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  2  0  0  0  0
 28 60  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 31 61  1  0  0  0  0
 32 34  2  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 65  1  0  0  0  0
 35 36  2  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  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 70  1  0  0  0  0
 40 71  1  0  0  0  0
 41 72  1  0  0  0  0
 41 73  1  0  0  0  0
 41 74  1  0  0  0  0
 42 75  1  0  0  0  0
 42 76  1  0  0  0  0
 42 77  1  0  0  0  0
M  END

$$$$
D09OKZ
  -OEChem-04152109332D

 46 47  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
    6.3301   -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  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  1  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
    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
    5.4641   -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
    6.3301    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
    4.5981   -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
    4.5981    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
    7.1962   -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
    3.7320   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0747    0.3577    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
    6.0010   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.4400    0.0000 H   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
    4.0611    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -3.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -3.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 32  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 17  1  0  0  0  0
  4 23  1  0  0  0  0
  5 20  1  0  0  0  0
  5 24  1  0  0  0  0
  6 18  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  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 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  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 17  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  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
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 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
 22 37  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
 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

$$$$
D09OOC
  -OEChem-04152110582D

 31 33  0     0  0  0  0  0  0999 V2000
    2.0000    0.7095    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.7095    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978   -1.7406    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905   -0.6644    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.9048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.5142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763   -1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226   -1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4333   -2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654   -3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7369    3.1035    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 12  2  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  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  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  2  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 13  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  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 27  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  END

$$$$
D09OTU
  -OEChem-02041521032D

 47 50  0     0  0  0  0  0  0999 V2000
    2.0000    1.4475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    2.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106   -1.4652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    2.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321    1.2358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7102    0.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7102   -2.6092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047    0.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047    0.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6897    0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3697   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    3.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992    0.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0754    0.4595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5700    2.0021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 13  2  0  0  0  0
  3 21  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 14 21  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 19  2  0  0  0  0
 16 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 19  1  0  0  0  0
 18 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 26  1  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
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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 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

$$$$
D09OTX
  -OEChem-04152111302D

 59 63  0     0  0  0  0  0  0999 V2000
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    7.2564   -1.1979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9293    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9575    1.2908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5923   -1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 49  1  0  0  0  0
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 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 27 30  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  2  0  0  0  0
 28 53  1  0  0  0  0
 29 31  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 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END

$$$$
D09OWK
  -OEChem-02041521172D

 52 53  0     1  0  0  0  0  0999 V2000
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    8.3190    1.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 44  1  0  0  0  0
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 24 50  1  0  0  0  0
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 24 52  1  0  0  0  0
M  END

$$$$
D09PLF
          01210517102D 1   1.00000     0.00000     0

 19 19  0     0  0            999 V2000
    4.8792   -2.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4875   -3.3000    0.0000 S   0  0  0  0  0  0           0  0  0
    3.7917   -3.0875    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.5667   -3.0875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1792   -2.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5667   -2.3792    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.9417   -3.3500    0.0000 N   0  0  0  0  0  0           0  0  0
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    8.2250   -2.3875    0.0000 H   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  2  0     0  0
  6  5  1  0     0  0
  7  3  1  0     0  0
  8  7  2  0     0  0
  9  6  1  0     0  0
 10  9  2  0     0  0
 11  4  2  0     0  0
 12  4  1  0     0  0
 13  8  1  0     0  0
 14 10  1  0     0  0
 16 12  1  0     0  0
 17 14  1  0     0  0
 18 13  1  0     0  0
 19 15  1  0     0  0
  6  3  2  0     0  0
  8 10  1  0     0  0
M  END

$$$$
D09POQ
  -OEChem-04152110402D

176177  0     1  0  0  0  0  0999 V2000
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    7.7331   -7.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972   -5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 62144  1  0  0  0  0
 62145  1  0  0  0  0
 63 67  1  0  0  0  0
 63146  1  0  0  0  0
 63147  1  0  0  0  0
 64 66  1  0  0  0  0
 64148  1  0  0  0  0
 64149  1  0  0  0  0
 65 69  1  0  0  0  0
 65150  1  0  0  0  0
 65151  1  0  0  0  0
 66 68  1  0  0  0  0
 66152  1  0  0  0  0
 66153  1  0  0  0  0
 67 71  1  0  0  0  0
 67154  1  0  0  0  0
 67155  1  0  0  0  0
 68 70  1  0  0  0  0
 68156  1  0  0  0  0
 68157  1  0  0  0  0
 69 73  1  0  0  0  0
 69158  1  0  0  0  0
 69159  1  0  0  0  0
 70 72  1  0  0  0  0
 70160  1  0  0  0  0
 70161  1  0  0  0  0
 71 74  1  0  0  0  0
 71162  1  0  0  0  0
 71163  1  0  0  0  0
 72 75  1  0  0  0  0
 72164  1  0  0  0  0
 72165  1  0  0  0  0
 73166  1  0  0  0  0
 73167  1  0  0  0  0
 73168  1  0  0  0  0
 74169  1  0  0  0  0
 74170  1  0  0  0  0
 74171  1  0  0  0  0
 75 76  1  0  0  0  0
 75172  1  0  0  0  0
 75173  1  0  0  0  0
 76174  1  0  0  0  0
 76175  1  0  0  0  0
 76176  1  0  0  0  0
M  END

$$$$
D09PPU
  -OEChem-03141904462D

 20 18  0     1  0  0  0  0  0999 V2000
    0.0000    2.7671    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0399    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    3.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    5.4679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044    4.6588    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2044    4.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8954    3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5134    3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    4.5259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8108    4.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1396    5.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290    3.9600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5854    3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0798    3.9600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8688    6.0343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0399    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  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  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 12  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
M  END

$$$$
D09PRN
  -OEChem-10101305032D

 34 34  0     0  0  0  0  0  0999 V2000
   10.0632    2.6200    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5316    5.2400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    2.1200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    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
    5.7331    1.1200    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
    7.4651    1.1200    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
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6025    1.5950    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 34  1  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 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  2  0  0  0  0
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  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  7 14  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 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 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 17  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
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D09PSZ
  -OEChem-04152109342D

 28 29  0     1  0  0  0  0  0999 V2000
    3.4600    0.9134    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    3.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    3.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    0.9134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.8644    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7690    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7200    2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    2.8644    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 10  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 13  1  0  0  0  0
  4 27  1  0  0  0  0
  5 17  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  7 11  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 12  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
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D09PVO
          08101001042D 1   1.00000     0.00000     0

 55 58  0     1  0            999 V2000
    6.9250   -0.5459    0.0000 C   0  0  1  0  0  0           0  0  0
    5.0833   -1.6125    0.0000 C   0  0  2  0  0  0           0  0  0
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    5.6834   -1.2542    0.0000 C   0  0  2  0  0  0           0  0  0
    6.3000   -1.6125    0.0000 C   0  0  1  0  0  0           0  0  0
    5.0833   -2.3208    0.0000 C   0  0  2  0  0  0           0  0  0
    6.3000   -2.3208    0.0000 C   0  0  1  0  0  0           0  0  0
    7.5959   -0.3209    0.0000 C   0  0  2  0  0  0           0  0  0
    6.3000   -0.1958    0.0000 C   0  0  2  0  0  0           0  0  0
    5.6834   -2.6709    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6834   -0.5459    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5959   -1.4750    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0542    0.3792    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4625   -1.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0167   -0.9000    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.2084    0.7375    0.0000 C   0  0  0  0  0  0           0  0  0
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  1 23  1  1     0  0
 24 14  1  0     0  0
 25 24  1  0     0  0
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 25 27  1  1     0  0
 19 28  1  6     0  0
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 15 12  1  0     0  0
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 10  6  1  0     0  0
 25 17  1  0     0  0
  9 34  1  6     0  0
  2  4  1  0     0  0
 27 35  1  0     0  0
  3  1  1  0     0  0
 35 36  1  0     0  0
  4 11  1  0     0  0
 35 37  2  0     0  0
  5  3  1  0     0  0
 36 38  1  0     0  0
  6  2  1  0     0  0
 38 39  1  0     0  0
  7  5  1  0     0  0
 39 40  1  0     0  0
  8  1  1  0     0  0
 40 41  1  0     0  0
  9  1  1  0     0  0
 41 42  1  0     0  0
 10  7  1  0     0  0
 42 43  1  0     0  0
 11  9  1  0     0  0
 43 44  1  0     0  0
 12  3  1  0     0  0
 44 45  1  0     0  0
 13 16  1  0     0  0
 45 46  1  0     0  0
 14  2  1  0     0  0
 46 47  1  0     0  0
 15  8  1  0     0  0
 47 48  1  0     0  0
 16 22  1  0     0  0
 48 49  1  0     0  0
 17  6  1  0     0  0
 49 50  1  0     0  0
 18 16  2  0     0  0
 50 51  1  0     0  0
 19  8  1  0     0  0
 51 52  1  0     0  0
 20 19  1  0     0  0
 52 53  1  0     0  0
  7 21  1  6     0  0
 53 54  1  0     0  0
 22 20  1  0     0  0
 54 55  1  0     0  0
M  END

$$$$
D09PYZ
  -OEChem-04152110362D

 29 32  0     0  0  0  0  0  0999 V2000
    2.0000    1.5436    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1671   -0.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192   -1.4591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8069   -1.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9718    1.3344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.6776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6730   -0.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6730   -1.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9409   -0.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8069    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192    0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2028   -0.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9409   -1.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9298   -2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8069    0.9656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8118    0.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8228   -0.6544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4040   -1.4644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3405   -2.6022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1224   -2.9989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5192   -2.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    2.9465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    2.9465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 13  2  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 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
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D09QAD
  -OEChem-02041520432D

 41 42  0     1  0  0  0  0  0999 V2000
    8.4952    3.4217    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1429    3.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9131    4.6613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5169    3.1298    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.4109    3.6645    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4109    4.6645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5169    5.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109    4.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109    3.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769    3.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285    2.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1429    4.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683    1.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608    6.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0529    5.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589    6.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610    6.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174    2.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9215    5.6689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    5.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4018    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    2.6895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4495    2.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7204    6.5097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    7.3537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6870    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4952    3.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  1  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  6  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 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 13  2  0  0  0  0
 11 15  1  0  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
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  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
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END

$$$$
D09QKI
  -OEChem-04152109502D

 88 90  0     1  0  0  0  0  0999 V2000
    3.7320   -3.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -7.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 53  1  0  0  0  0
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 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
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 23 24  1  0  0  0  0
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 29 34  2  0  0  0  0
 29 36  1  0  0  0  0
 30 32  2  0  0  0  0
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 31 32  1  0  0  0  0
 31 73  1  0  0  0  0
 33 38  1  0  0  0  0
 33 74  1  0  0  0  0
 34 39  1  0  0  0  0
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 35 40  2  0  0  0  0
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 36 41  2  0  0  0  0
 36 77  1  0  0  0  0
 38 42  2  0  0  0  0
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 39 43  2  0  0  0  0
 39 79  1  0  0  0  0
 40 42  1  0  0  0  0
 40 80  1  0  0  0  0
 41 43  1  0  0  0  0
 41 81  1  0  0  0  0
 42 82  1  0  0  0  0
 43 83  1  0  0  0  0
 44 86  1  0  0  0  0
 44 87  1  0  0  0  0
 44 88  1  0  0  0  0
M  END

$$$$
D09QOR
  -OEChem-10101305022D

 14 14  0     0  0  0  0  0  0999 V2000
    3.4030   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.4050    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
    4.2690   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -0.5950    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
    2.5369    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5250    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
    6.5380    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7150    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 12  1  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  2  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  3  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D09QWN
  -OEChem-03141904472D

 23 23  0     0  0  0  0  0  0999 V2000
    3.0000   -2.6550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3450    0.0000 C   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
    4.0000    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
    3.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5970   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  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  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
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  6 15  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 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
M  END

$$$$
D09RJN
  -OEChem-02041521032D

 55 59  0     1  0  0  0  0  0999 V2000
    7.9643   -3.4648    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7619   -2.3821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9674    0.4454    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2619   -1.5161    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6783   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7117    1.1132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.2619   -1.5161    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 24  1  0  0  0  0
  2 15  2  0  0  0  0
  3 18  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5 18  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 13  1  0  0  0  0
  6 28  1  1  0  0  0
  7 10  1  0  0  0  0
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  7 29  1  1  0  0  0
  8 11  1  0  0  0  0
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  8 15  1  1  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 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 19  1  6  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 16  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 17  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 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 25  1  0  0  0  0
 20 45  1  0  0  0  0
 21 26  2  0  0  0  0
 21 46  1  0  0  0  0
 22 24  1  0  0  0  0
 22 47  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
 24 51  1  0  0  0  0
 24 52  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  END

$$$$
D09RMU
  -OEChem-02051508392D

250261  0     1  0  0  0  0  0999 V2000
   13.5079    1.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7978   -4.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1405   -0.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6361    3.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2361    2.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2284    4.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4925    5.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0964    4.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0736   -8.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9002    4.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3566    6.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9720    1.9410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6925    4.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2130    8.9342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7001   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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117250  1  0  0  0  0
M  END

$$$$
D09RVI
  -OEChem-10101305022D

 51 55  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D09RZM
          01210517122D 1   1.00000     0.00000     0

 32 34  0     1  0            999 V2000
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 10  9  1  0     0  0
 11  4  1  0     0  0
 12  5  2  0     0  0
 13  8  2  0     0  0
 14 21  1  0     0  0
 15  6  2  0     0  0
 16 15  1  0     0  0
 17  5  1  0     0  0
 18 12  1  0     0  0
 19  7  2  0     0  0
 20  2  2  0     0  0
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 27 13  1  0     0  0
 28 17  1  0     0  0
 29 19  1  0     0  0
 30 22  1  0     0  0
 31 22  1  0     0  0
  4 32  1  6     0  0
  2  3  1  0     0  0
 11 18  1  0     0  0
 16 13  1  0     0  0
M  END

$$$$
D09SFV
  -OEChem-10121500452D

 40 43  0     0  0  0  0  0  0999 V2000
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  2 10  1  0  0  0  0
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  4  5  1  0  0  0  0
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 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D09TFB
  CDK    9/16/09,9:50

 24 28  0  0  0  0  0  0  0  0999 V2000
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 15  4  1  0  0  0  0 
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 11 12  1  0  0  0  0 
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 16 17  1  0  0  0  0 
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 20 21  2  0  0  0  0 
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  1 16  1  0  0  0  0 
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 10 11  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 20  1  0  0  0  0 
 17 20  1  0  0  0  0 
M  END

$$$$
D09TFL
  -OEChem-04152111332D

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M  END

$$$$
D09TGC
  -OEChem-04152109512D

 20 22  0     1  0  0  0  0  0999 V2000
    5.0882    1.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3562    1.7064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169   -1.3258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0233   -0.3801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048   -1.3284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9138   -1.9162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000   -2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -0.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2196    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    1.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734   -1.1516    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 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  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
  5 13  1  1  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  1  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
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END

$$$$
D09TLE
          06291100062D 1   1.00000     0.00000     0

 36 38  0     1  0            999 V2000
   -5.1292   -1.6417    0.0000 C   0  0  3  0  0  0           0  0  0
   -4.7313   -1.4125    0.0000 O   0  0  0  0  0  0           0  0  0
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   -3.9441   -1.4125    0.0000 C   0  0  1  0  0  0           0  0  0
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   -2.7590   -1.6417    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9425   -0.9611    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5472   -0.7326    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.5847   -2.7554    0.0000 O   0  0  0  0  0  0           0  0  0
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   -5.1779   -2.0936    0.0000 C   0  0  0  0  0  0           0  0  0
 17 18  1  0     0  0
  9 10  2  0     0  0
 18 19  2  0     0  0
 19  8  1  0     0  0
  2  3  1  0     0  0
 17 20  1  0     0  0
 10 11  1  0     0  0
 20 21  1  0     0  0
  4  6  1  0     0  0
 21 22  1  0     0  0
 11 12  2  0     0  0
 21 23  2  0     0  0
  1  2  1  0     0  0
 22 24  1  0     0  0
 12 13  1  0     0  0
 24 25  1  0     0  0
  6  7  1  0     0  0
 25 26  1  0     0  0
 13 14  2  0     0  0
 26 27  1  0     0  0
 14  9  1  0     0  0
 27 28  1  0     0  0
  4  9  1  6     0  0
 28 29  1  0     0  0
  3  4  1  0     0  0
 29 30  1  0     0  0
  8 15  2  0     0  0
 30 31  1  0     0  0
  7  8  1  0     0  0
 29 32  2  0     0  0
  1 33  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
  3  5  2  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36  1  1  0     0  0
M  END

$$$$
D09TLJ
  -OEChem-02041521332D

 32 33  0     0  0  0  0  0  0999 V2000
    6.3301    2.0000    0.0000 F   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    0.0000    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
  2  9  2  0  0  0  0
  3 11  2  0  0  0  0
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  6  9  1  0  0  0  0
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  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 16  2  0  0  0  0
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 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
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 14 23  1  0  0  0  0
 16 20  1  0  0  0  0
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 18 21  1  0  0  0  0
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 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END

$$$$
D09UDL
          06101000442D 1   1.00000     0.00000     0

105112  0     1  0            999 V2000
    8.5512   -2.8917    0.0000 N   0  0  0  0  0  0           0  0  0
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   10.0206   -0.9125    0.0000 C   0  0  0  0  0  0           0  0  0
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 23 24  2  0     0  0
M  END

$$$$
D09UMN
  -OEChem-04152111212D

 64 67  0     1  0  0  0  0  0999 V2000
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 22 47  1  0  0  0  0
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 30 32  2  0  0  0  0
 30 62  1  0  0  0  0
 31 32  1  0  0  0  0
 31 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END

$$$$
D09UMP
  -OEChem-10101305022D

 48 50  0     1  0  0  0  0  0999 V2000
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 15 38  1  0  0  0  0
 16 19  1  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  2  0  0  0  0
 18 24  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 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
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END

$$$$
D09URP
  -OEChem-02041521092D

 42 42  0     0  0  0  0  0  0999 V2000
    2.9692    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5222    5.7956    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    8.9796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1334   10.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7314   10.9797    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9994   10.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    2.6390    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0386    3.6049    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3020    4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5477    2.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477    1.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8705    2.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6117    1.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2974    4.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210    1.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633    4.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9994    8.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8654    9.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1334    9.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8654   10.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6198    5.1198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6888    4.6794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4618    2.6596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    3.4287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5108    1.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3577    1.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    3.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3997    1.2975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    1.6937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    1.9351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    1.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434    5.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798    4.6248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174    4.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900    0.7039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5837    1.4738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    4.7756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9994    8.3596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4024    9.1697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7304    9.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
  3 42  1  0  0  0  0
  4 20  2  0  0  0  0
  5 21  1  0  0  0  0
  6 21  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
  7 15  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 14  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 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  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 30  1  0  0  0  0
 13 31  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 17  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 36  1  0  0  0  0
 16 39  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 20  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
M  CHG  3   5  -1   7   1   8   1
M  END

$$$$
D09USN
  -OEChem-10101305022D

 60 57  0     1  0  0  0  0  0999 V2000
    5.6751    3.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9973    1.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    6.7630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5870    3.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5870    5.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    9.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0490    5.2630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    3.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    3.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197    1.8370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    3.7630    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7240    3.1752    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1060    3.1752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9150    4.7630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4150    2.2242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4150    2.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    5.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    6.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6471    4.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0028    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6471    6.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5131    5.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0490    6.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    2.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830    6.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    4.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    3.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6676    2.7368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    5.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    2.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086    2.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798    1.6076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    4.6430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5121    4.9530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690    6.8456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705    6.1553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2486    4.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456    4.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1358    3.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8231    4.7261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500    5.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2031    5.7999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571    6.2261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840    7.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3371    7.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9605    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    7.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460    7.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730    6.2261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3318    3.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590    1.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    1.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0620    9.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881    9.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1239    6.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500    6.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1239    3.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500    3.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 40  1  0  0  0  0
  2 21  1  0  0  0  0
  2 47  1  0  0  0  0
  3 21  2  0  0  0  0
  4 24  2  0  0  0  0
  5 59  1  0  0  0  0
  5 60  1  0  0  0  0
  6 57  1  0  0  0  0
  6 58  1  0  0  0  0
  7 55  1  0  0  0  0
  7 56  1  0  0  0  0
  8 15  1  0  0  0  0
  8 24  1  0  0  0  0
  8 35  1  0  0  0  0
 14  9  1  1  0  0  0
  9 25  2  0  0  0  0
 10 25  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 25  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  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
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  1  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 19 22  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
 20 38  1  0  0  0  0
 20 39  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 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D09UZL
  -OEChem-04152111222D

 49 53  0     0  0  0  0  0  0999 V2000
    2.8660    0.1682    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.5046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -3.4196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    4.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    4.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7084    1.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026    1.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -3.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9164    0.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6106    0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8674   -0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -4.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -4.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    4.5776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    4.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1188    1.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8634    1.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967   -3.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4556   -0.2788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2002    0.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9963   -0.7794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -4.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -4.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.1313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 16  1  0  0  0  0
  2 32  1  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 26  1  0  0  0  0
  8 23  2  0  0  0  0
  9 31  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 13  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 24  2  0  0  0  0
 15 25  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  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
 23 38  1  0  0  0  0
 24 27  1  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 30  2  0  0  0  0
 26 41  1  0  0  0  0
 27 29  2  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
 32 48  1  0  0  0  0
 32 49  1  0  0  0  0
M  END

$$$$
D09VAS
  -OEChem-03141904462D

 23 22  0     0  0  0  0  0  0999 V2000
    5.4641   -1.2500    0.0000 Cl  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   -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
    4.5981    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
    8.0622    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
    6.3301    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
    8.9282   -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
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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
    8.6182   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.5600    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  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
  4  9  2  0  0  0  0
  5 10  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 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 18  1  0  0  0  0
 11 19  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
M  END

$$$$
D09VBE
  -OEChem-10101305022D

 49 52  0     0  0  0  0  0  0999 V2000
    2.0933    1.1639    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.4521    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    0.0425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9070   -0.4762    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487   -2.3181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -0.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    0.0479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    1.5479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9070    1.5721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429    0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429    1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1369    1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1369   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3769    2.1679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1297    2.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1297   -1.1067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.6679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818   -1.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7788   -2.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4452    1.2642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5232    2.5745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9008    3.1921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2832    2.5697    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
  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
  2 14  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  3 34  1  0  0  0  0
  4 23  1  0  0  0  0
  5 17  2  0  0  0  0
  6 19  2  0  0  0  0
  9 29  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
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 11 16  1  0  0  0  0
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 13 26  1  0  0  0  0
 13 29  1  0  0  0  0
 13 43  1  0  0  0  0
 14 29  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  2  0  0  0  0
 16 20  2  0  0  0  0
 18 24  2  0  0  0  0
 18 25  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 37  1  0  0  0  0
 22 23  2  0  0  0  0
 24 27  1  0  0  0  0
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 25 28  2  0  0  0  0
 25 39  1  0  0  0  0
 26 27  2  0  0  0  0
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 30 32  2  0  0  0  0
 31 45  1  0  0  0  0
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 31 47  1  0  0  0  0
 32 33  1  0  0  0  0
 32 48  1  0  0  0  0
 33 34  2  0  0  0  0
 33 49  1  0  0  0  0
M  END

$$$$
D09VMI
  -OEChem-10121500402D

 60 64  0     0  0  0  0  0  0999 V2000
    8.7720   -3.6282    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952   -1.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    4.4062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1050   -3.8339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067    1.4409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128   -0.1146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    5.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    3.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    5.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1808    0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3873   -2.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5271   -1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1794   -5.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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 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

$$$$
D09VWI
          06171000272D 1   1.00000     0.00000     0

 29 29  0     1  0            999 V2000
    0.6375   -4.3042    0.0000 N   0  3  0  0  0  0           0  0  0
    1.2542   -5.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8667   -5.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2542   -4.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5500   -5.7167    0.0000 N   0  0  3  0  0  0           0  0  0
   10.4292   -5.8750    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4417   -4.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    9.8292   -4.8042    0.0000 C   0  0  0  0  0  0           0  0  0
    9.8250   -5.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4792   -5.3667    0.0000 N   0  0  0  0  0  0           0  0  0
    0.6375   -3.5917    0.0000 O   0  5  0  0  0  0           0  0  0
   10.4542   -3.7500    0.0000 O   0  0  0  0  0  0           0  0  0
   10.4250   -6.5792    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0917   -5.7167    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9375   -5.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8667   -6.4292    0.0000 Cl  0  0  0  0  0  0           0  0  0
    4.3250   -5.7167    0.0000 C   0  0  2  0  0  0           0  0  0
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    3.7042   -5.3625    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0542   -4.8167    0.0000 O   0  0  0  0  0  0           0  0  0
   11.0500   -5.5250    0.0000 O   0  0  0  0  0  0           0  0  0
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    4.3250   -6.4292    0.0000 O   0  0  0  0  0  0           0  0  0
    6.1625   -5.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5542   -6.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0167   -5.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1667   -6.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7792   -5.7167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7792   -6.4250    0.0000 C   0  0  0  0  0  0           0  0  0
  2  4  2  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5 15  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9  6  1  0     0  0
 10  3  2  0     0  0
 11  1  1  0     0  0
 12  7  2  0     0  0
 13  6  2  0     0  0
 14 10  1  0     0  0
 15 17  1  0     0  0
 16  3  1  0     0  0
 17 19  1  0     0  0
 18  1  2  0     0  0
 19 14  1  0     0  0
 20  7  1  0     0  0
 21  6  1  0     0  0
 22  2  1  0     0  0
 17 23  1  1     0  0
 24  5  1  0     0  0
 25  5  1  0     0  0
 26 18  1  0     0  0
 27 25  1  0     0  0
 28 24  1  0     0  0
 29 27  1  0     0  0
 22 26  2  0     0  0
 29 28  1  0     0  0
M  CHG  2   1   1  11  -1
M  END

$$$$
D09WFL
  -OEChem-04152122332D

 35 36  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
    7.1962    1.7500    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
    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   -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
    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
    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
    3.7320   -3.2500    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
    2.0000   -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
    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    3.2500    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
    3.1951    0.0600    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
    2.3291   -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
    5.7741   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.7131    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
    3.1951    1.4400    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
    4.5981    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.4400    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 35  1  0  0  0  0
  3 20  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  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 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  2  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 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
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  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 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D09WGH
          07180700062D 1   1.00000     0.00000     0

 16 17  0     1  0            999 V2000
    0.3000    1.0917    0.0000 N   0  0  3  0  0  0           0  0  0
    0.3000   -0.5625    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.0458    1.9208    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0458    3.4542    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.9042   -1.5083    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5333   -1.4333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6167    1.9208    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6167    3.4958    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5042   -2.8833    0.0000 C   0  0  1  0  0  0           0  0  0
    1.0708   -2.8833    0.0000 C   0  0  1  0  0  0           0  0  0
    0.2833    4.2583    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3833    1.1542    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9250    4.2792    0.0000 I   0  0  0  0  0  0           0  0  0
    2.0792   -4.1750    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3125   -4.2125    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8458   -4.0708    0.0000 O   0  0  0  0  0  0           0  0  0
  2  1  1  1     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  1  1  0     0  0
  8  7  2  0     0  0
  9  5  1  0     0  0
 10  6  1  0     0  0
 11  8  1  0     0  0
 12  3  2  0     0  0
 13  8  1  0     0  0
 10 14  1  6     0  0
  9 15  1  1     0  0
 16 15  1  0     0  0
 11  4  2  0     0  0
 10  9  1  0     0  0
M  END

$$$$
D09WNK
  -OEChem-10121500262D

 32 32  0     1  0  0  0  0  0999 V2000
    5.4641    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    2.5000    0.0000 F   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
    3.7320   -1.5000    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    0.0000    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   -3.0000    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   -0.5000    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
    6.3301    0.0000    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
    2.0000   -3.5000    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   -2.3500    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
    3.1215   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9081   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -2.8923    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
    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
    6.8671    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.0369    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  5  1  0  0  0  0
  4  9  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 17  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 10  2  0  0  0  0
  7 11  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 15  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 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 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 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
 15 32  1  0  0  0  0
M  END

$$$$
D09WYE
          01261100102D 1   1.00000     0.00000     0

 18 20  0     0  0            999 V2000
    5.3167   -3.1417    0.0000 C   0  0  2  0  0  0           0  0  0
    4.8417   -2.6125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -3.5000    0.0000 N   0  0  3  0  0  0           0  0  0
    5.0625   -1.9292    0.0000 S   0  0  0  0  0  0           0  0  0
    4.1292   -2.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4875   -1.5167    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.9125   -1.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3167   -3.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0875   -3.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -4.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9250   -2.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5417   -3.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0917   -4.5667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4667   -3.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9292   -4.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5417   -3.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4667   -4.2125    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  1  3  1  1     0  0
  4  2  1  0     0  0
  5  2  2  0     0  0
  6  4  1  0     0  0
  7  1  1  0     0  0
  8  5  1  0     0  0
  9  1  1  0     0  0
 10  3  1  0     0  0
 11  3  1  0     0  0
  7 12  1  1     0  0
 13  7  1  0     0  0
 14 11  1  0     0  0
 15 10  1  0     0  0
 16  9  1  0     0  0
 17 16  1  0     0  0
 18 14  1  0     0  0
 13 17  1  0     0  0
  6  8  2  0     0  0
 15 18  1  0     0  0
M  END

$$$$
D09WYL
          06241100482D 1   1.00000     0.00000     0

 39 43  0     1  0            999 V2000
    6.7125   -1.7208    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8833   -1.7209    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4653   -2.4334    0.0000 N   0  0  3  0  0  0           0  0  0
    5.8761   -3.1548    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7053   -3.1589    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1279   -2.4418    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8709   -2.8458    0.0000 C   0  0  1  0  0  0           0  0  0
    1.8709   -3.6750    0.0000 N   0  0  0  0  0  0           0  0  0
    2.5870   -4.0918    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3115   -3.6750    0.0000 C   0  0  2  0  0  0           0  0  0
    3.3115   -2.8458    0.0000 N   0  0  3  0  0  0           0  0  0
    2.5870   -2.4333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1509   -2.4395    0.0000 C   0  0  3  0  0  0           0  0  0
    1.0602   -1.6166    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3878   -2.7870    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1785   -2.1631    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2353   -1.4466    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1766   -0.7380    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0147   -0.7402    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4100   -1.4611    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0000   -2.1713    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5870   -1.6083    0.0000 O   0  0  0  0  0  0           0  0  0
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  4  5  1  0     0  0
  5  6  1  0     0  0
  1  2  1  0     0  0
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  2  3  1  0     0  0
  3  4  1  0     0  0
  7  8  1  0     0  0
  9 23  2  0     0  0
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 11 24  1  0     0  0
 14 17  1  0     0  0
 24 25  1  0     0  0
 16 15  1  0     0  0
 24 26  1  6     0  0
 15 13  1  0     0  0
 26 27  2  0     0  0
  8  9  1  0     0  0
 27 28  1  0     0  0
  9 10  1  0     0  0
 28 29  2  0     0  0
 16 17  2  0     0  0
 29 30  1  0     0  0
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 30 31  2  0     0  0
 31 26  1  0     0  0
 17 18  1  0     0  0
 29 32  1  0     0  0
 11 12  1  0     0  0
 27 33  1  0     0  0
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 25  3  1  0     0  0
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 25 35  2  0     0  0
 20 21  2  0     0  0
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 21 16  1  0     0  0
 34 37  1  0     0  0
 13 14  1  0     0  0
 34 38  1  1     0  0
 12 22  2  0     0  0
 38 39  1  0     0  0
M  END

$$$$
D09XGB
  -OEChem-04152109552D

 44 46  0     0  0  0  0  0  0999 V2000
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    3.4030   -1.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3568    2.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
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 26 39  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D09XIZ
  -OEChem-10191523072D

 55 58  0     0  0  0  0  0  0999 V2000
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   13.4383    3.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9244    0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1276    2.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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 19 44  1  0  0  0  0
 20 22  2  0  0  0  0
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 21 45  1  0  0  0  0
 22 28  1  0  0  0  0
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 23 48  1  0  0  0  0
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 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 29  1  0  0  0  0
 27 28  2  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D09XLS
  -OEChem-10121502042D

 88 91  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D09XOF
          07190700082D 1   1.00000     0.00000     0

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M  END

$$$$
D09XQU
  -OEChem-04152108452D

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    1.4643    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  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 14  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  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
M  CHG  4   1  -1   2  -1   3   1   4   1
M  END

$$$$
D09XUB
  -OEChem-10101305032D

 30 31  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
    2.4608   -1.2031    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
    6.3031   -3.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.0756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.6634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    1.6145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019    3.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031    2.3190    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
    3.4118   -1.5122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -2.4632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.9244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -3.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208    1.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -0.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -2.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.8682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -3.6693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2663    3.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    3.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676    2.8206    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
 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
  4 14  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
 13  5  1  6  0  0  0
  5 15  1  0  0  0  0
  6 16  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 17  2  0  0  0  0
  9 30  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
 11 18  1  0  0  0  0
 12 14  1  6  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 26  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D09XUH
  -OEChem-04152109412D

 81 83  0     1  0  0  0  0  0999 V2000
    3.7320   -7.0953    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.9282   -7.0953    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4047    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.5953    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.5953    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    2.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    0.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3651    5.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5631    5.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5876    6.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    6.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    7.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    7.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9282    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9891    4.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5030    4.7341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9851    5.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9431    5.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252    4.7341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1462    6.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9742    6.7982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540    6.7982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7820    6.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227    7.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8261    7.6998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1021    7.6998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4055    7.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    4.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.3221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.7147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670    2.7987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0780    1.4047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 37  1  0  0  0  0
  4 24  2  0  0  0  0
  5 30  2  0  0  0  0
  6 34  2  0  0  0  0
  7 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 48  2  0  0  0  0
 10 49  2  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 65  1  0  0  0  0
 12 30  1  0  0  0  0
 31 12  1  6  0  0  0
 12 69  1  0  0  0  0
 13 28  1  0  0  0  0
 13 36  1  0  0  0  0
 13 72  1  0  0  0  0
 14 32  1  0  0  0  0
 14 36  2  0  0  0  0
 15 34  1  0  0  0  0
 15 39  1  0  0  0  0
 15 74  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 16 50  1  0  0  0  0
 17 19  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 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 21  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 22  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 22  1  0  0  0  0
 21 59  1  0  0  0  0
 21 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 66  1  0  0  0  0
 28 32  2  0  0  0  0
 29 32  1  0  0  0  0
 29 67  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 68  1  0  0  0  0
 33 35  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
 36 73  1  0  0  0  0
 37 40  2  0  0  0  0
 38 41  1  0  0  0  0
 38 75  1  0  0  0  0
 39 43  2  0  0  0  0
 39 44  1  0  0  0  0
 40 42  1  0  0  0  0
 40 76  1  0  0  0  0
 41 42  2  0  0  0  0
 41 77  1  0  0  0  0
 42 78  1  0  0  0  0
 43 45  1  0  0  0  0
 43 79  1  0  0  0  0
 44 46  2  0  0  0  0
 44 80  1  0  0  0  0
 45 47  2  0  0  0  0
 45 49  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 81  1  0  0  0  0
M  CHG  4   1   1   2   1   7  -1   8  -1
M  END

$$$$
D09XUY
  -OEChem-10101305022D

 21 21  0     1  0  0  0  0  0999 V2000
    5.0868    1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.1648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.1139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.4739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0298   -0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -1.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -2.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    0.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -0.9123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5962   -0.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398    0.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1144   -1.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856   -2.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318    0.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0564   -2.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9252   -2.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.2339    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  9  2  0  0  0  0
  5  3  1  6  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  6  1  0  0  0  0
  4  9  1  6  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  8  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
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END

$$$$
D09XXH
  -OEChem-04152110522D

 93 98  0     1  0  0  0  0  0999 V2000
    2.0000    2.8318    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 43 93  1  0  0  0  0
M  END

$$$$
D09XZL
  -OEChem-04152111252D

 62 65  0     0  0  0  0  0  0999 V2000
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  9 20  1  0  0  0  0
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 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
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 16 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
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 23 48  1  0  0  0  0
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 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  2  0  0  0  0
 27 54  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 30 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
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
M  END

$$$$
D09YDM
  -OEChem-10101305022D

 42 46  0     1  0  0  0  0  0999 V2000
    4.6140    4.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5080    2.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840    4.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436   -1.2288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5081    2.5786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341   -0.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5228   -0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9980    1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    3.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976   -1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4880    0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7289   -2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444   -3.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755   -3.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9436   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636    0.9055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925    0.0939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683    1.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4802   -1.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1719    0.3133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6270   -3.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914   -2.9695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160   -4.7062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3095   -4.5297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  7  2  1  1  0  0  0
  2 38  1  0  0  0  0
  3 15  2  0  0  0  0
  4 18  2  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 14  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 17  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 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 16 20  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
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
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 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  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
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D09YDO
  -OEChem-04152110102D

 38 41  0     0  0  0  0  0  0999 V2000
    6.1808    2.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.3656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.3656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.8656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -3.3601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.9588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.5680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407   -0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487    2.1344    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
  1 20  1  0  0  0  0
  2 13  2  0  0  0  0
  3 19  2  0  0  0  0
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  4 13  1  0  0  0  0
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  5 25  1  0  0  0  0
  5 32  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  2  0  0  0  0
  7  9  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 19  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 31  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 33  1  0  0  0  0
 22 24  2  0  0  0  0
 22 34  1  0  0  0  0
 23 26  2  0  0  0  0
 23 35  1  0  0  0  0
 24 26  1  0  0  0  0
 24 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  END

$$$$
D09YDQ
  -OEChem-04152109362D

 33 35  0     0  0  0  0  0  0999 V2000
    5.0981    4.6149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.9239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7891    3.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -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
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  1 18  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8 24  1  0  0  0  0
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 10 13  2  0  0  0  0
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 11 15  1  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
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  3  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D09ZJQ
  -OEChem-10111523562D

 79 81  0     1  0  0  0  0  0999 V2000
    2.0000   -5.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2563    4.5805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4103    0.9041    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4103   -0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D09ZKS
  -OEChem-04152108552D

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 57112  1  0  0  0  0
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 69127  1  0  0  0  0
 69128  1  0  0  0  0
M  END

$$$$
D09ZLZ
          01131100062D 1   1.00000     0.00000     0

 28 30  0     1  0            999 V2000
   -5.1456   -1.9622    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4992   -1.8599    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.0844   -2.3686    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4412   -2.2705    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2061   -1.6551    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6205   -1.1505    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2592   -1.2487    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7837   -2.0646    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.0309   -2.7752    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5650   -1.5528    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.3258   -0.9458    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.7112   -0.4133    0.0000 C   0  0  2  0  0  0           0  0  0
   -3.3564   -0.5156    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.3244   -2.9799    0.0000 Cl  0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  2  0     0  0
  5  4  1  0     0  0
  6  5  2  0     0  0
  7  6  1  0     0  0
  7  2  2  0     0  0
  1  8  3  0     0  0
  4  9  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 11 10  1  6     0  0
 12 14  1  6     0  0
 16 15  1  0     0  0
 17 16  2  0     0  0
 18 17  1  0     0  0
 19 18  2  0     0  0
 19 15  1  0     0  0
 21 20  1  0     0  0
 22 21  2  0     0  0
 23 22  1  0     0  0
 24 23  2  0     0  0
 25 24  1  0     0  0
 25 20  2  0     0  0
 27 26  3  0     0  0
 23 26  1  0     0  0
 19 20  1  0     0  0
 11 16  1  0     0  0
  5 10  1  0     0  0
  3 28  1  0     0  0
M  END

$$$$
D09ZSY
          01210517062D 1   1.00000     0.00000     0

 19 20  0     1  0            999 V2000
    3.3500   -5.7875    0.0000 N   0  0  3  0  0  0           0  0  0
    2.9375   -6.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9375   -5.2167    0.0000 S   0  0  0  0  0  0           0  0  0
    2.2583   -6.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0625   -5.7875    0.0000 C   0  0  2  0  0  0           0  0  0
    2.2583   -5.4375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4125   -6.4042    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.0625   -7.0167    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4125   -5.1750    0.0000 C   0  0  2  0  0  0           0  0  0
    5.1250   -6.4042    0.0000 O   0  0  0  0  0  0           0  0  0
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    4.7667   -5.7875    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  2  1  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7  5  1  0     0  0
  8  2  2  0     0  0
  9  7  2  0     0  0
 10  5  1  0     0  0
 11  7  1  0     0  0
 12  4  1  0     0  0
 13  6  1  0     0  0
 14 10  1  0     0  0
 10 15  1  1     0  0
 16 12  2  0     0  0
 17 13  2  0     0  0
 18 14  1  0     0  0
  5 19  1  6     0  0
  4  6  2  0     0  0
 16 17  1  0     0  0
M  END

$$$$
D09ZVC
  -OEChem-10121501042D

 30 30  0     1  0  0  0  0  0999 V2000
    2.0000   -3.6069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.5878    3.6069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 13  1  0  0  0  0
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  4 17  1  0  0  0  0
  5 17  1  0  0  0  0
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 10 16  1  0  0  0  0
 10 28  1  0  0  0  0
 14 13  1  1  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 23  1  0  0  0  0
 15 17  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
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  2  0  0  0  0
 21 30  1  0  0  0  0
M  END

$$$$
D09ZWH
  -OEChem-04152121562D

 32 32  0     1  0  0  0  0  0999 V2000
    5.3139    1.2011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -1.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470   -1.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0635   -0.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1092    0.8139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1124    0.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    0.2229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8492   -0.4462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1550   -0.0861    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8002   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D09ZXO
  -OEChem-10121500542D

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 41 77  1  0  0  0  0
M  END

$$$$
D09ZZW
  -OEChem-04152122272D

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 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D0A0SI
  -OEChem-04152111262D

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 30 31  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END

$$$$
D0A0SK
          01210515472D 1   1.00000     0.00000     0

  8  7  0     0  0            999 V2000
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    4.3750   -3.1417    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7542   -3.4917    0.0000 N   0  0  0  0  0  0           0  0  0
  2  3  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
M  END

$$$$
D0A1AQ
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
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   10.6665    2.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D0A1DG
  -OEChem-03141904472D

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   10.4091    1.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7420    2.7268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 35  1  0  0  0  0
  5 16  2  0  0  0  0
  6 26  2  0  0  0  0
  6 27  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 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  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
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 36  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 26  1  0  0  0  0
 21 38  1  0  0  0  0
 22 27  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
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D0A1IL
  -OEChem-10101305022D

 20 21  0     1  0  0  0  0  0999 V2000
    6.0981    1.1160    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
    4.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0000   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7320   -0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8660    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1597    0.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    0.3489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057   -0.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    0.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -1.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1  9  1  0  0  0  0
  6  2  1  1  0  0  0
  2 10  1  0  0  0  0
  7  3  1  1  0  0  0
  3 19  1  0  0  0  0
  8  4  1  6  0  0  0
  4 20  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 10  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 14  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
 10 18  1  0  0  0  0
M  END

$$$$
D0A1LS
  -OEChem-02061503542D

 51 55  0     0  0  0  0  0  0999 V2000
    2.6079    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079    2.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377   -1.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7705    1.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7866   -0.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435   -0.0482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    2.9933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884   -2.0280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1256    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3935    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0356    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0436   -0.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1415   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3935    2.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1256    2.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3602   -1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9624    1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -0.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935    1.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996    3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935    2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9103    1.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9187   -0.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769   -3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7589    2.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7905   -1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664    0.0469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600   -0.6387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625    2.8033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068    0.3387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5655   -2.1231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9720   -1.4375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9505    2.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9766   -1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068    3.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551   -1.7118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    2.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    1.5786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569   -3.0208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4697   -3.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0968   -3.0351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3789    2.5397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7518    3.1525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1390    2.5253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1705   -1.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7929   -2.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4105   -1.5566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 27  1  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  2  0  0  0  0
  4 25  1  0  0  0  0
  4 29  1  0  0  0  0
  5 26  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  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  2  0  0  0  0
  8 19  1  0  0  0  0
  8 28  1  0  0  0  0
  8 40  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 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 15  1  0  0  0  0
 13 21  2  0  0  0  0
 14 19  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 23  2  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
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 25  1  0  0  0  0
 20 37  1  0  0  0  0
 21 26  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 25 26  2  0  0  0  0
 27 41  1  0  0  0  0
 27 42  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
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END

$$$$
D0A1RP
  -OEChem-10101305032D

 30 31  0     1  0  0  0  0  0999 V2000
    2.6443   -2.9754    0.0000 F  -1  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
    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  3  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
    3.2320   -2.1664    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320   -2.1664    0.0000 C   0  0  3  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
    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
    3.5135   -2.7188    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
    2.3291    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 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 27  1  0  0  0  0
  4 14  2  0  0  0  0
  5 16  2  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 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  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
  9 20  1  0  0  0  0
 10 11  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 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 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  ISO  1   1  18
M  END

$$$$
D0A1WN
  -OEChem-10121501522D

 82 87  0     0  0  0  0  0  0999 V2000
    2.5447    2.7296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2063   -2.5784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7076   -2.3613    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742    0.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289    0.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3324   -2.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9331    2.0094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2422    2.9604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422    0.4216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6082   -1.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8043   -3.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3342   -3.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7505   -4.3832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8299    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2422    2.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    4.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0209    4.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6390    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5512    2.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422    1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9821    1.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389    2.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7742    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6082   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879    2.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742   -2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7505   -2.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3402   -3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8043   -4.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0723   -3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 44  2  0  0  0  0
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 41 71  1  0  0  0  0
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 47 78  1  0  0  0  0
 47 79  1  0  0  0  0
 48 80  1  0  0  0  0
 48 81  1  0  0  0  0
M  END

$$$$
D0A2BO
          10151000412D 1   1.00000     0.00000     0

 41 44  0     1  0            999 V2000
    2.0118   -2.0994    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6210   -1.7453    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2303   -2.0994    0.0000 C   0  0  2  0  0  0           0  0  0
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 14 15  1  0     0  0
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 17 19  1  1     0  0
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 18 20  1  6     0  0
 10 11  1  0     0  0
 15 21  1  6     0  0
 11 12  2  0     0  0
  5 27  1  0     0  0
  1  2  1  0     0  0
 28 26  1  6     0  0
  3  2  1  1     0  0
 19 22  1  0     0  0
 24 23  2  0     0  0
 23 25  1  0     0  0
 12  8  1  0     0  0
  8  7  1  0     0  0
  7 13  2  0     0  0
  8  9  2  0     0  0
 23 26  1  0     0  0
 23 22  1  0     0  0
  4  5  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31  3  1  0     0  0
  3 28  1  0     0  0
 28 29  1  0     0  0
 30 32  1  6     0  0
 33 36  2  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 38  1  0     0  0
 37 36  1  0     0  0
 37 38  2  0     0  0
 36 39  1  0     0  0
 34 40  2  0     0  0
 30 35  1  0     0  0
M  CHG  2  25  -1  41   1
M  END

$$$$
D0A2CP
  -OEChem-03141904542D

 88 91  0     1  0  0  0  0  0999 V2000
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 49 88  1  0  0  0  0
M  END

$$$$
D0A2RA
  -OEChem-04152109482D

 66 71  0     0  0  0  0  0  0999 V2000
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 41 66  1  0  0  0  0
M  END

$$$$
D0A2VZ
  -OEChem-04152111322D

 29 29  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0A3CL
  -OEChem-04152111222D

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 34 60  1  0  0  0  0
M  END

$$$$
D0A3ES
  -OEChem-02061504222D

 64 65  0     0  0  0  0  0  0999 V2000
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 31 63  1  0  0  0  0
M  END

$$$$
D0A3NN
  -OEChem-04152110562D

 85 82  0     1  0  0  0  0  0999 V2000
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   10.0632    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2643    7.5909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8613    7.4009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2040    6.6732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8054    7.3635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2508    5.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6493    5.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8054    5.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2040    5.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3288    4.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1259    4.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643    8.5909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1904    8.5909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4584    6.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9953    7.9009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7919    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9948    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1288    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9258    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8154    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6623    0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4354    1.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2963    1.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0694    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2224    2.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2224    0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4494    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2963    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    2.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    1.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0598    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2628    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3967    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5307    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    2.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 32  2  0  0  0  0
  5 33  2  0  0  0  0
  6  8  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  9  1  0  0  0  0
  7 46  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 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  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 13  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  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 23  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
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 19  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 26  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 27  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 56  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 62  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 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
 24 70  1  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 28  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
 27 29  1  0  0  0  0
 27 76  1  0  0  0  0
 27 77  1  0  0  0  0
 28 30  1  0  0  0  0
 28 78  1  0  0  0  0
 28 79  1  0  0  0  0
 29 31  1  0  0  0  0
 29 80  1  0  0  0  0
 29 81  1  0  0  0  0
 30 32  1  0  0  0  0
 30 82  1  0  0  0  0
 30 83  1  0  0  0  0
 31 33  1  0  0  0  0
 31 84  1  0  0  0  0
 31 85  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D0A4RF
  -OEChem-10191521162D

 48 50  0     0  0  0  0  0  0999 V2000
    6.0000    5.3971    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000   -0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320   -2.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -2.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -5.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -2.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -2.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -4.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.0000    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826   -1.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923   -0.9205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -1.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077   -2.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970   -4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    0.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900   -1.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -1.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100    1.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    0.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100    2.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    3.6651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    3.6651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900    5.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 13  2  0  0  0  0
  5 12  2  0  0  0  0
  6 16  2  0  0  0  0
  7 22  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  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 13  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
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  2  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  2  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
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  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 45  1  0  0  0  0
 26 28  2  0  0  0  0
 26 46  1  0  0  0  0
 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
M  END

$$$$
D0A4UC
  -OEChem-10191523092D

 46 49  0     0  0  0  0  0  0999 V2000
   14.3390    0.6499    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9677    2.0145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9744    0.2786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5649   -2.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7874    1.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6031    1.6432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5900    0.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6123   -0.2881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.4246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3467   -0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5900   -1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5649    0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9777    0.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0070    1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8788   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7429    0.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6235   -0.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4711    1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714   -0.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5900   -2.4119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5110    1.0883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.3795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2335   -2.5456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6825   -1.7239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4689    1.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8812   -0.9835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8687    2.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2810   -0.1681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970   -1.0143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788    1.7603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869    0.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
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 27 44  1  0  0  0  0
 28 29  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END

$$$$
D0A4YK
  -OEChem-04152111112D

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M  END

$$$$
D0A5BV
          01210517082D 1   1.00000     0.00000     0

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 13243  1  1     0  0
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 29245  1  6     0  0
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 89 29  1  0     0  0
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 59 68  1  0     0  0
 45 17  1  0     0  0
 51 14  1  0     0  0
M  END

$$$$
D0A5EF
  -OEChem-04152109442D

 52 54  0     1  0  0  0  0  0999 V2000
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  1 21  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END

$$$$
D0A5FD
  -OEChem-03141904512D

 43 42  0     1  0  0  0  0  0999 V2000
    3.3180    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    3.1350    4.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2690    6.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.0369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    4.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.5369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5991    8.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331    8.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8671    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3 17  1  0  0  0  0
  3 19  1  0  0  0  0
  4 18  2  0  0  0  0
  5  7  1  0  0  0  0
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  5 10  1  0  0  0  0
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 10 28  1  0  0  0  0
 10 29  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
 12 31  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
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
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 16 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 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$
D0A5HC
  -OEChem-04152111212D

 80 84  0     0  0  0  0  0  0999 V2000
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    5.5717   -2.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 44 79  1  0  0  0  0
 44 80  1  0  0  0  0
M  END

$$$$
D0A5IL
          06250900092D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
    3.8750   -1.2287    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5833   -1.2287    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.2298   -1.8425    0.0000 O   0  0  0  0  0  0           0  0  0
    5.2917   -1.2280    0.0000 O   0  0  0  0  0  0           0  0  0
  7  8  1  0     0  0
  4  5  1  0     0  0
  8  9  1  0     0  0
  9  3  1  0     0  0
  1  3  1  0     0  0
  3 10  1  0     0  0
  5  6  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  6  7  1  0     0  0
  2 13  1  0     0  0
  3  2  1  0     0  0
  2 14  2  0     0  0
M  ISO  1   4  18
M  END

$$$$
D0A5MC
  -OEChem-10121500412D

 49 53  0     0  0  0  0  0  0999 V2000
   13.0611   -2.5295    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2450    2.5295    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 18 21  2  0  0  0  0
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 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
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 24 27  2  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  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
 29 45  1  0  0  0  0
 30 33  2  0  0  0  0
 30 46  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
M  END

$$$$
D0A5MR
  -OEChem-10121500422D

 21 23  0     0  0  0  0  0  0999 V2000
    3.2601   -2.0936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    1.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  2  0  0  0  0
  9 12  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
 12 13  1  0  0  0  0
M  END

$$$$
D0A5SA
  -OEChem-04152111362D

 79 81  0     1  0  0  0  0  0999 V2000
    5.1907    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7988    3.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988    3.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988    7.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115   11.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988    5.7071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7988    6.5732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2988    3.9751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    7.3779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6912    2.4985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 79  1  0  0  0  0
  2 16  2  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 19  2  0  0  0  0
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 11  6  1  6  0  0  0
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  7 14  1  0  0  0  0
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  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
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 10 22  2  0  0  0  0
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 14 43  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 47  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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 21 53  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
 24 57  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
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 30  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  2  0  0  0  0
 29 33  2  0  0  0  0
 30 32  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 31 34  1  0  0  0  0
 31 68  1  0  0  0  0
 32 36  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 33 35  1  0  0  0  0
 33 71  1  0  0  0  0
 34 35  2  0  0  0  0
 34 72  1  0  0  0  0
 35 73  1  0  0  0  0
 36 74  1  0  0  0  0
 36 75  1  0  0  0  0
 37 76  1  0  0  0  0
 37 77  1  0  0  0  0
 37 78  1  0  0  0  0
M  END

$$$$
D0A5SR
          01210517122D 1   1.00000     0.00000     0

 32 33  0     0  0            999 V2000
    2.9292   -2.4292    0.0000 N   0  0  3  0  0  0           0  0  0
    3.5917   -2.6292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2042   -2.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0125   -2.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9167   -1.7000    0.0000 C   0  0  1  0  0  0           0  0  0
    2.2042   -1.7000    0.0000 C   0  0  1  0  0  0           0  0  0
    3.6000   -1.4792    0.0000 C   0  0  1  0  0  0           0  0  0
    3.5917   -3.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7292   -2.0625    0.0000 S   0  0  0  0  0  0           0  0  0
    5.5792   -3.8292    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1542   -3.4042    0.0000 C   0  0  1  0  0  0           0  0  0
    1.6917   -2.9167    0.0000 O   0  0  0  0  0  0           0  0  0
    5.9292   -2.7375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2167   -2.7375    0.0000 C   0  0  1  0  0  0           0  0  0
    1.5792   -1.3375    0.0000 C   0  0  2  0  0  0           0  0  0
    2.9667   -3.7042    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.6917   -3.6875    0.0000 C   0  0  2  0  0  0           0  0  0
    4.2042   -3.7042    0.0000 O   0  0  0  0  0  0           0  0  0
    3.8250   -0.8000    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.2042   -0.9792    0.0000 H   0  0  0  0  0  0           0  0  0
    6.6625   -2.9000    0.0000 H   0  0  0  0  0  0           0  0  0
    2.9167   -0.9792    0.0000 H   0  0  0  0  0  0           0  0  0
    8.1375   -5.0542    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  2  2  0     0  0
  5  1  1  0     0  0
  6  5  1  0     0  0
  7  5  1  0     0  0
  8  2  1  0     0  0
  9  4  1  0     0  0
 10 17  1  0     0  0
 11 13  1  0     0  0
 12  3  2  0     0  0
 13 14  1  0     0  0
 14  9  1  1     0  0
 15  6  1  0     0  0
 16  8  2  0     0  0
 17 14  1  0     0  0
 18 11  1  0     0  0
 19  8  1  0     0  0
  7 20  1  1     0  0
 21 26  1  0     0  0
 22 18  1  0     0  0
 15 24  1  1     0  0
 18 25  1  6     0  0
 26 22  1  0     0  0
 27 15  1  0     0  0
 28 21  1  0     0  0
  6 29  1  1     0  0
 11 30  1  6     0  0
  5 31  1  6     0  0
 32 23  1  0     0  0
  4  7  1  0     0  0
  6  3  1  0     0  0
 10 11  1  0     0  0
M  END

$$$$
D0A5XN
          01210517112D 1   1.00000     0.00000     0

 30 28  0     0  0            999 V2000
    5.7417   -2.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1667   -2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0125   -3.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5625   -2.9917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4167   -3.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3750   -3.0792    0.0000 N   0  0  3  0  0  0           0  0  0
    3.5667   -3.0750    0.0000 N   0  0  3  0  0  0           0  0  0
    4.7125   -2.4167    0.0000 O   0  5  0  0  0  0           0  0  0
    5.2500   -2.4000    0.0000 O   0  5  0  0  0  0           0  0  0
    5.6875   -2.9292    0.0000 O   0  5  0  0  0  0           0  0  0
    4.1792   -1.3917    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7042   -3.5292    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7542   -1.3542    0.0000 O   0  0  0  0  0  0           0  0  0
    7.5542   -3.6750    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4167   -3.7000    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5667   -2.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3792   -2.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0292   -2.7125    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9750   -2.7000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9667   -3.9917    0.0000 N   0  0  3  0  0  0           0  0  0
    5.6500   -4.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8167   -2.6667    0.0000 N   0  0  0  0  0  0           0  0  0
    8.1625   -2.6292    0.0000 N   0  0  0  0  0  0           0  0  0
    6.3750   -3.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5667   -3.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6792   -4.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2750   -4.3375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6750   -3.4792    0.0000 Dy  0  1  0  0  0  0           0  0  0
    8.7792   -2.9625    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2000   -3.0042    0.0000 C   0  0  0  0  0  0           0  0  0
  2 16  1  0     0  0
  3 21  1  0     0  0
  4 19  1  0     0  0
  5 18  1  0     0  0
  6 17  1  0     0  0
  7 25  1  0     0  0
  8  2  1  0     0  0
  9  1  1  0     0  0
 10  3  1  0     0  0
 11  2  2  0     0  0
 12  3  2  0     0  0
 13  1  2  0     0  0
 14  4  2  0     0  0
 15  5  2  0     0  0
 16  7  1  0     0  0
 17  1  1  0     0  0
 18  7  1  0     0  0
 19  6  1  0     0  0
 20 26  1  0     0  0
 21 20  1  0     0  0
 22  5  1  0     0  0
 23  4  1  0     0  0
 24  6  1  0     0  0
 25 27  1  0     0  0
 26 24  1  0     0  0
 27 20  1  0     0  0
 29 23  1  0     0  0
 30 22  1  0     0  0
M  CHG  4   8  -1   9  -1  10  -1  28   3
M  END

$$$$
D0A6VD
  -OEChem-04152111172D

 62 65  0     0  0  0  0  0  0999 V2000
    2.0000    2.2500    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
    6.3301   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    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
    6.3301   -4.2500    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
    4.5981    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0A7JH
  -OEChem-04152110172D

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M  END

$$$$
D0A7KI
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 31 33  1  0     0  0
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  4  8  2  0     0  0
 23 12  1  0     0  0
 25 19  1  0     0  0
  9  5  2  0     0  0
 11  6  2  0     0  0
M  END

$$$$
D0A8JM
  -OEChem-10101305022D

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M  END

$$$$
D0A8JP
  BIDD-NUS20110812001D

 10 10  0  0  0  0            999 V2000
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  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
M  ENDM  END

$$$$
D0A8KQ
  -OEChem-04152111262D

 56 58  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0A8LP
  -OEChem-04152108592D

 52 54  0     1  0  0  0  0  0999 V2000
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 28 31  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END

$$$$
D0A8UP
  -OEChem-10191521162D

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M  END

$$$$
D0A9IY
  -OEChem-04152110502D

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 29 54  1  0  0  0  0
M  END

$$$$
D0A9PN
  -OEChem-04152111302D

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M  END

$$$$
D0A9SA
  -OEChem-04152110112D

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 46 84  1  0  0  0  0
 47 85  1  0  0  0  0
M  END

$$$$
D0AA6Z
  -OEChem-10101305032D

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M  END

$$$$
D0AA8R
          06230700172D 1   1.00000     0.00000     0

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 10  2  1  0     0  0
 11  7  1  0     0  0
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 13  5  1  0     0  0
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 16 17  1  0     0  0
M  END

$$$$
D0AC8W
  -OEChem-10191523072D

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M  END

$$$$
D0AD4D
  -OEChem-04152111232D

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 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
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 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END

$$$$
D0AD4H
  -OEChem-10101305022D

 62 62  0     1  0  0  0  0  0999 V2000
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 22 25  1  0  0  0  0
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 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END

$$$$
D0AE5K
  -OEChem-04152122342D

607613  0     1  0  0  0  0  0999 V2000
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310311  2  0  0  0  0
311606  1  0  0  0  0
312607  1  0  0  0  0
M  END

$$$$
D0AG8L
  -OEChem-03141904512D

 18 18  0     0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END

$$$$
D0AH6V
          04281002502D 1   1.00000     0.00000     0

 43 48  0     1  0            999 V2000
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 29 19  1  0     0  0
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 16 25  2  0     0  0
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 12  4  1  0     0  0
 20 30  1  0     0  0
M  END

$$$$
D0AL8T
          01250504352D 1   1.00000     0.00000     0

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

$$$$
D0AW5T
  -OEChem-10191522572D

 73 76  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0AW8E
  -OEChem-10101305022D

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M  END

$$$$
D0AX4H
  -OEChem-03141904452D

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M  END

$$$$
D0AX9S
  -OEChem-04152109062D

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 28 59  1  0  0  0  0
 29 32  2  0  0  0  0
 29 60  1  0  0  0  0
 30 34  2  0  0  0  0
 30 35  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
 34 36  1  0  0  0  0
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 35 37  2  0  0  0  0
 35 65  1  0  0  0  0
 36 38  2  0  0  0  0
 36 66  1  0  0  0  0
 37 38  1  0  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
M  END

$$$$
D0AY8A
  -OEChem-03141904482D

 50 54  0     0  0  0  0  0  0999 V2000
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 29 47  1  0  0  0  0
 30 31  1  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D0B0FU
  -OEChem-04152109272D

 78 81  0     1  0  0  0  0  0999 V2000
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 27  7  1  1  0  0  0
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 32  9  1  6  0  0  0
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 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
M  END

$$$$
D0B0NQ
  -OEChem-10191522572D

 41 43  0     1  0  0  0  0  0999 V2000
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    2.0000    0.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0B0ZR
  -OEChem-04152109282D

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M  END

$$$$
D0B1EQ
  -OEChem-04152122312D

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M  END

$$$$
D0B1SG
          04201100062D 1   1.00000     0.00000     0

 35 38  0     1  0            999 V2000
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 14  7  1  1     0  0
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  2 35  1  0     0  0
M  END

$$$$
D0B1VZ
  -OEChem-04152111332D

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 27 14  1  1  0  0  0
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 32 15  1  6  0  0  0
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 16 37  1  0  0  0  0
 16 39  1  0  0  0  0
 16 70  1  0  0  0  0
 34 17  1  1  0  0  0
 17 41  1  0  0  0  0
 17 71  1  0  0  0  0
 18 40  1  0  0  0  0
 18 43  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
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 34 36  1  0  0  0  0
 34 39  1  0  0  0  0
 34 63  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
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 36 65  1  0  0  0  0
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 38 40  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
 40 72  1  0  0  0  0
 40 73  1  0  0  0  0
 41 42  1  0  0  0  0
 42 75  1  0  0  0  0
 42 76  1  0  0  0  0
M  END

$$$$
D0B2WK
  -OEChem-04152109112D

 64 66  0     1  0  0  0  0  0999 V2000
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   10.1074    2.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0225    4.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -3.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -4.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8921   -4.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7760    2.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9285    3.3706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6692    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2297    0.7626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7014    1.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3023    2.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6537    0.4863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4426    0.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2110    2.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6682    1.7551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    3.6617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5754   -2.1292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6604    2.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4544    2.7608    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
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 10 13  1  0  0  0  0
 10 35  1  6  0  0  0
 11 12  1  0  0  0  0
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 20 21  2  0  0  0  0
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 21 45  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
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 25 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  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
 30 57  1  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
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 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  CHG  2   1   1   5  -1
M  END

$$$$
D0B3FV
  -OEChem-10101305032D

 53 55  0     1  0  0  0  0  0999 V2000
    3.9639    0.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    4.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -4.7885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7669    4.2995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8994    0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    1.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    1.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1810    3.8380    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 49  1  0  0  0  0
  2 28  2  0  0  0  0
  3  6  1  0  0  0  0
  3 53  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 13  1  0  0  0  0
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  5 38  1  0  0  0  0
  6 28  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  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 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 16  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 37  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  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 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 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 46  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 26  1  0  0  0  0
 26 27  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
M  END

$$$$
D0B3GF
  -OEChem-10101305022D

 45 48  0     0  0  0  0  0  0999 V2000
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   10.1921    1.1397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    3.9912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 45  1  0  0  0  0
M  END

$$$$
D0B3TA
          01201000142D 1   1.00000     0.00000     0

 41 44  0     1  0            999 V2000
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 15  3  1  0     0  0
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 22 20  1  0     0  0
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M  END

$$$$
D0B3ZF
  -OEChem-02061504242D

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

$$$$
D0B4CD
          08220900062D 1   1.00000     0.00000     0

 34 37  0     1  0            999 V2000
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 16 17  2  0     0  0
  3  4  1  0     0  0
 17 18  1  0     0  0
  8  9  2  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
 19  1  1  0     0  0
  1 23  2  0     0  0
  4  5  2  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 22  1  1  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 22  1  0     0  0
  5  6  1  0     0  0
 25 26  1  0     0  0
 12 13  2  0     0  0
 26 27  1  0     0  0
 13  8  1  0     0  0
 27 28  1  0     0  0
  6  8  1  0     0  0
 26 29  1  1     0  0
  2  3  2  0     0  0
 26 30  1  0     0  0
 11 14  1  0     0  0
 21 31  1  0     0  0
  6  7  2  0     0  0
 31 32  1  0     0  0
 14 15  1  0     0  0
 31 33  1  0     0  0
  7  2  1  0     0  0
 31 34  1  0     0  0
 15 16  1  0     0  0
M  END

$$$$
D0B4KU
  -OEChem-04152111262D

 56 59  0     0  0  0  0  0  0999 V2000
   14.1734    4.5068    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6811   -4.4556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    0.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6166    1.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0168   -0.1202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9702    2.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486    4.8386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -3.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -2.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -2.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6811    1.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596    1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3274    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9487    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2594    3.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2379    3.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9057    3.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8843    3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5271    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1949    4.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0887   -4.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820   -4.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -3.5775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1498   -2.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2488   -3.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520   -3.8021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6340   -4.1988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8737   -5.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    1.8299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456   -0.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9341    0.9582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5562    2.9866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2388    4.3016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6456    3.7693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7131    2.5545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2983    2.8886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7197    5.6342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 13  1  0  0  0  0
  2 45  1  0  0  0  0
  3 20  2  0  0  0  0
  4 28  2  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 16  2  0  0  0  0
  6 22  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  2  0  0  0  0
  8 22  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 25  2  0  0  0  0
  9 27  1  0  0  0  0
 10 26  1  0  0  0  0
 10 28  1  0  0  0  0
 10 51  1  0  0  0  0
 11 30  2  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 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
 14 39  1  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 18  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 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 21 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  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
 27 50  1  0  0  0  0
 28 29  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 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 54  1  0  0  0  0
 32 34  1  0  0  0  0
 32 55  1  0  0  0  0
 33 34  2  0  0  0  0
 33 56  1  0  0  0  0
M  END

$$$$
D0B4OF
          08241000062D 1   1.00000     0.00000     0

 22 24  0     1  0            999 V2000
    4.4000   -8.5375    0.0000 C   0  0  2  0  0  0           0  0  0
    3.5917   -8.5292    0.0000 C   0  0  2  0  0  0           0  0  0
    3.1042   -8.1542    0.0000 N   0  0  3  0  0  0           0  0  0
    4.5167   -9.2292    0.0000 C   0  0  2  0  0  0           0  0  0
    3.2292   -8.8667    0.0000 C   0  0  2  0  0  0           0  0  0
    4.0750   -8.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3917   -7.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3167   -9.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1292   -8.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7750   -9.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9792   -7.8042    0.0000 I   0  0  0  0  0  0           0  0  0
    3.7792   -7.4750    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1292   -8.1625    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7500   -9.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3667   -8.1542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7417   -7.5417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -7.4667    0.0000 O   0  0  0  0  0  0           0  0  0
    6.3667   -8.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7417   -7.8042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0000   -6.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5917   -7.8250    0.0000 H   0  0  0  0  0  0           0  0  0
    2.6167   -8.5125    0.0000 H   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  6  1  0     0  0
  6  4  1  0     0  0
  1  7  1  1     0  0
  8  2  1  0     0  0
  4  9  1  1     0  0
 10  8  1  0     0  0
 11 15  1  0     0  0
 12  7  2  0     0  0
 13  9  1  0     0  0
 14  9  2  0     0  0
 15 18  2  0     0  0
 16  3  1  0     0  0
 17  7  1  0     0  0
 18 14  1  0     0  0
 19 13  2  0     0  0
 20 17  1  0     0  0
  2 21  1  6     0  0
  5 22  1  1     0  0
  3  5  1  0     0  0
 10  5  1  0     0  0
 19 15  1  0     0  0
M  ISO  1  11 123
M  END

$$$$
D0B5GS
  -OEChem-03141904502D

178186  0     1  0  0  0  0  0999 V2000
    7.9557    8.3101    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.3351    8.4999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8080   17.9300    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5537    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9557    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9557    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2236    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3576    5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9557    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4198    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5550   11.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9557    9.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5256    9.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4574    8.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0206    9.8148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3576   11.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6159   10.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597    9.7924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2858   14.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039   12.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1518   15.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2586   12.9086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300   11.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6160   15.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8217   10.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4198   10.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2236   10.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0179   10.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845   11.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7499   11.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455   11.2066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2791   13.4490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8217    1.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6877    1.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8217    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    3.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5537    1.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8217    4.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9557    4.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8217    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0896    4.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8217    5.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0896    5.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4198    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2236    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8217    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5537    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8217    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5537    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877   10.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5537   10.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0896    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2858    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9557   10.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2858   10.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0896   10.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0896    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2236    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2858    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1518    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    9.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4916   10.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3576    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0179    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8839    9.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8839   10.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2236    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3576    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1518    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0178    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0B5HF
  -OEChem-04152110522D

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 10 15  1  0  0  0  0
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 13 41  1  0  0  0  0
 15 42  1  0  0  0  0
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 17 21  1  0  0  0  0
 17 48  1  0  0  0  0
 18 22  2  0  0  0  0
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 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
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 21 54  1  0  0  0  0
 22 25  1  0  0  0  0
 22 55  1  0  0  0  0
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 23 56  1  0  0  0  0
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 25 58  1  0  0  0  0
 26 28  2  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 61  1  0  0  0  0
 31 33  2  0  0  0  0
 31 62  1  0  0  0  0
 33 63  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
M  END

$$$$
D0B5HS
  -OEChem-10101305022D

 30 31  0     1  0  0  0  0  0999 V2000
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  1 16  1  0  0  0  0
  1 30  1  0  0  0  0
  2 16  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
 10  4  1  6  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  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
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  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 16  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
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 12 22  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 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D0B5RO
          01220513262D 1   1.00000     0.00000     0

 17 17  0     0  0            999 V2000
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  2  1  1  0     0  0
  3  1  1  0     0  0
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  5 11  1  0     0  0
  6  1  2  0     0  0
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 10  3  2  0     0  0
 11 13  2  0     0  0
 12  9  2  0     0  0
 13 10  1  0     0  0
 14  4  1  0     0  0
 15  7  1  0     0  0
 16  7  1  0     0  0
 17  7  1  0     0  0
 11 12  1  0     0  0
M  END

$$$$
D0B5RZ
  -OEChem-08301509492D

 82 85  0     1  0  0  0  0  0999 V2000
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 45 82  1  0  0  0  0
M  END

$$$$
D0B6IZ
  -OEChem-04152110132D

 40 42  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0B6RA
  -OEChem-10101305032D

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

$$$$
D0B6YB
  -OEChem-02051508422D

 49 53  0     1  0  0  0  0  0999 V2000
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 29 48  1  0  0  0  0
M  END

$$$$
D0B7CH
  -OEChem-10121501572D

 24 24  0     0  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
    5.4641    1.3450    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
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    2.8660   -1.1550    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
  1 24  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
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  5  7  2  0  0  0  0
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  6 17  1  0  0  0  0
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  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
 10 12  2  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 23  1  0  0  0  0
M  END

$$$$
D0B7QU
  -OEChem-04152111082D

 52 52  0     1  0  0  0  0  0999 V2000
    2.8660   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17  7  1  6  0  0  0
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 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
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 22 23  1  0  0  0  0
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 22 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END

$$$$
D0B7VK
  -OEChem-04152122332D

 27 28  0     0  0  0  0  0  0999 V2000
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    3.7320    0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 27  1  0  0  0  0
M  END

$$$$
D0B8TK
  -OEChem-04152111132D

 47 50  0     0  0  0  0  0  0999 V2000
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 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D0B8WU
  -OEChem-04152111232D

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M  END

$$$$
D0B9DM
  -OEChem-04152111262D

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M  END

$$$$
D0B9MR
  -OEChem-10121501482D

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 27 48  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

$$$$
D0B9OG
          01170800062D 1   1.00000     0.00000     0

 26 29  0     0  0            999 V2000
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   -0.4156   -3.4584    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  6  1  2  0     0  0
  8  7  2  0     0  0
  9  8  1  0     0  0
  7  2  1  0     0  0
  9  3  2  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
  4 10  1  0     0  0
  8 13  1  0     0  0
 16 15  2  0     0  0
 17 16  1  0     0  0
 18 17  2  0     0  0
 19 18  1  0     0  0
 19 15  1  0     0  0
 14 19  1  0     0  0
 21 20  1  0     0  0
 22 21  2  0     0  0
 23 22  1  0     0  0
 24 23  2  0     0  0
 25 24  1  0     0  0
 25 20  2  0     0  0
 21 26  1  0     0  0
 15 20  1  0     0  0
  5 14  1  0     0  0
M  END

$$$$
D0B9RD
  -OEChem-04152111322D

 56 56  0     0  0  0  0  0  0999 V2000
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    5.5981    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
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 22 53  1  0  0  0  0
 23 24  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  ISO  3  49   2  50   2  51   2
M  END

$$$$
D0B9XW
  -OEChem-04152111332D

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D0BA5K
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D0BA8M
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$$$$
D0BD9K
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 46 47  1  0  0  0  0
 46 76  1  0  0  0  0
M  END

$$$$
D0BE0Z
  -OEChem-03141904512D

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M  CHG  2   2   1   9  -1
M  END

$$$$
D0BE1A
          07190700072D 1   1.00000     0.00000     0

 33 36  0     0  0            999 V2000
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 20 22  1  0     0  0
 23 24  1  0     0  0
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 27 31  1  0     0  0
 29 32  1  0     0  0
 29 33  2  0     0  0
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 10 12  1  0     0  0
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 17 21  1  0     0  0
 28 31  2  0     0  0
M  END

$$$$
D0BF4Z
  -OEChem-03141904522D

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 31 32  1  0  0  0  0
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 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
M  END

$$$$
D0BH9I
  -OEChem-03141904472D

 34 35  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0BI3N
  -OEChem-04152111202D

 58 61  0     0  0  0  0  0  0999 V2000
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 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END

$$$$
D0BM7M
  -OEChem-10191522562D

 58 61  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0BN7W
  -OEChem-04152111322D

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M  END

$$$$
D0BO7U
  -OEChem-03141904492D

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    1.4006   14.5716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9180   14.2829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6955   14.4582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229   11.6662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6644   11.4215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7439   11.7585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   11.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840   16.2833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3577   15.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3928   15.9326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5167   15.9677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589   10.7659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9786    9.9342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5043   10.2574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3811   10.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3814   11.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7 55  1  0  0  0  0
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 56110  1  0  0  0  0
 57111  1  0  0  0  0
 57112  1  0  0  0  0
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 58114  1  0  0  0  0
 59 63  2  0  0  0  0
 59115  1  0  0  0  0
 60 64  2  0  0  0  0
 60116  1  0  0  0  0
 61 65  2  0  0  0  0
 61117  1  0  0  0  0
 62 66  1  0  0  0  0
 62118  1  0  0  0  0
 63119  1  0  0  0  0
 64120  1  0  0  0  0
 65121  1  0  0  0  0
 66122  1  0  0  0  0
 67 71  1  0  0  0  0
 67123  1  0  0  0  0
 67124  1  0  0  0  0
 68 72  1  0  0  0  0
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 68126  1  0  0  0  0
 69 73  1  0  0  0  0
 69127  1  0  0  0  0
 69128  1  0  0  0  0
 70 74  1  0  0  0  0
 70129  1  0  0  0  0
 70130  1  0  0  0  0
 71 75  1  0  0  0  0
 71131  1  0  0  0  0
 71132  1  0  0  0  0
 72 76  1  0  0  0  0
 72133  1  0  0  0  0
 72134  1  0  0  0  0
 73 77  1  0  0  0  0
 73135  1  0  0  0  0
 73136  1  0  0  0  0
 74 78  1  0  0  0  0
 74137  1  0  0  0  0
 74138  1  0  0  0  0
 75 79  1  0  0  0  0
 75139  1  0  0  0  0
 75140  1  0  0  0  0
 76 80  1  0  0  0  0
 76141  1  0  0  0  0
 76142  1  0  0  0  0
 77 81  1  0  0  0  0
 77143  1  0  0  0  0
 77144  1  0  0  0  0
 78 82  1  0  0  0  0
 78145  1  0  0  0  0
 78146  1  0  0  0  0
 79147  1  0  0  0  0
 79148  1  0  0  0  0
 79149  1  0  0  0  0
 80150  1  0  0  0  0
 80151  1  0  0  0  0
 80152  1  0  0  0  0
 81153  1  0  0  0  0
 81154  1  0  0  0  0
 81155  1  0  0  0  0
 82156  1  0  0  0  0
 82157  1  0  0  0  0
 82158  1  0  0  0  0
M  CHG  8   1   3   2  -1   3  -1   4  -1   5  -1   6  -1  11   1  12   1
M  CHG  2  13   1  15  -1
M  END

$$$$
D0BT0Z
  -OEChem-04152111272D

 50 52  0     0  0  0  0  0  0999 V2000
    7.4280   -1.9404    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2539    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3850   -2.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    1.4492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260    2.2539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422   -0.6581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    3.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6742   -3.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3635   -2.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    4.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6527   -3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -4.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852   -0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744   -1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958   -1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8668   -4.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.8739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9773   -2.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3841   -1.9394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.4439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0424    3.8166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456    4.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    4.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5248   -4.3225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2594   -3.8437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7806   -3.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5449   -3.8399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5923   -4.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4678   -4.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1785   -0.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8456    0.7539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.2909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2 10  1  0  0  0  0
  2 29  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  2  0  0  0  0
  9 25  2  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 47  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 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 24  2  0  0  0  0
 16 25  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  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
 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
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 28  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END

$$$$
D0BW4W
          01230523202D 1   1.00000     0.00000     0

 24 26  0     1  0            999 V2000
    4.7917   -1.7667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5667   -2.4417    0.0000 N   0  0  3  0  0  0           0  0  0
    4.2042   -1.3542    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1667   -2.8792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4042   -3.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7792   -2.5250    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3917   -2.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0042   -3.9375    0.0000 N   0  0  3  0  0  0           0  0  0
    3.6417   -1.7750    0.0000 C   0  0  2  0  0  0           0  0  0
    3.8667   -2.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7917   -3.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4542   -1.5500    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8042   -1.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1667   -3.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4167   -1.7542    0.0000 N   0  0  0  0  0  0           0  0  0
    8.2417   -4.6417    0.0000 S   0  0  0  0  0  0           0  0  0
    1.8042   -0.6917    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0292   -1.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0042   -2.5125    0.0000 F   0  0  0  0  0  0           0  0  0
    7.6167   -3.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0167   -4.6500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2417   -3.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6292   -5.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1792   -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 11  1  0     0  0
  6  4  2  0     0  0
  7  6  1  0     0  0
  8  5  1  0     0  0
  9  3  1  0     0  0
 10  2  1  0     0  0
 11 14  2  0     0  0
 12  1  2  0     0  0
 13 15  1  0     0  0
 14  4  1  0     0  0
 15 18  1  0     0  0
 16 23  1  0     0  0
 17 13  2  0     0  0
  9 18  1  6     0  0
 19  7  1  0     0  0
 20  8  1  0     0  0
 21  8  1  0     0  0
 22 20  1  0     0  0
 23 21  1  0     0  0
 24 13  1  0     0  0
 10  9  1  0     0  0
  7  5  2  0     0  0
 22 16  1  0     0  0
M  END

$$$$
D0BW6F
  -OEChem-03141904522D

 58 63  0     0  0  0  0  0  0999 V2000
    2.0000   -4.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908   -3.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228   -2.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869   -0.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529    2.4830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    1.4830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0992    1.1782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888    2.4830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888    4.4830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    2.4830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247   -3.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   -3.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908   -2.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -4.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -3.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228   -3.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   -1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 54  1  0  0  0  0
 30 31  2  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 33 56  1  0  0  0  0
M  END

$$$$
D0C0MN
  -OEChem-10101305022D

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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

$$$$
D0C0NH
  -OEChem-10101305022D

 19 20  0     0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

$$$$
D0C0TU
  -OEChem-04152111292D

179186  0     1  0  0  0  0  0999 V2000
   14.1244   -9.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 91172  1  0  0  0  0
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 92173  1  0  0  0  0
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 98177  1  0  0  0  0
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 99178  1  0  0  0  0
100179  1  0  0  0  0
M  END

$$$$
D0C1JV
  -OEChem-04152111172D

 40 39  0     1  0  0  0  0  0999 V2000
    3.4030   -3.3770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.1230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.3770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -2.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -4.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9651    3.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9651    2.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    1.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331    0.1230    0.0000 C   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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  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
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  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 39  1  0  0  0  0
  6 40  1  0  0  0  0
 13 11  1  1  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 14 12  1  1  0  0  0
 12 37  1  0  0  0  0
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 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D0C1WL
          01210517362D 1   1.00000     0.00000     0

 34 37  0     0  0            999 V2000
   10.1417    0.6167    0.0000 S   0  0  3  0  0  0           0  0  0
   10.6333    0.8958    0.0000 N   0  0  3  0  0  0           0  0  0
   10.6333    1.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1417    2.3125    0.0000 C   0  0  0  0  0  0           0  0  0
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   11.1208    1.7458    0.0000 C   0  0  0  0  0  0           0  0  0
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   11.1208    2.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6500    2.5958    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1833    1.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6708    1.4708    0.0000 C   0  0  0  0  0  0           0  0  0
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   11.6125    2.5958    0.0000 N   0  0  0  0  0  0           0  0  0
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   10.1417    0.0500    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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  5  3  2  0     0  0
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  8  6  2  0     0  0
  9  4  1  0     0  0
 10 16  1  0     0  0
 11 10  1  0     0  0
 12  1  2  0     0  0
 13  1  2  0     0  0
 14  9  1  0     0  0
 15  8  1  0     0  0
 16 19  1  0     0  0
 17 10  2  0     0  0
 18  9  2  0     0  0
 19 14  1  0     0  0
 20 11  2  0     0  0
 21  1  1  0     0  0
 22  7  1  0     0  0
 23  2  1  0     0  0
 24 11  1  0     0  0
 25 16  2  0     0  0
 26 17  1  0     0  0
 27  6  1  0     0  0
 28 25  1  0     0  0
 29 26  1  0     0  0
 30 15  2  0     0  0
 31 24  1  0     0  0
 32 21  1  0     0  0
 33 27  2  0     0  0
 34 23  1  0     0  0
 34 32  1  0     0  0
  7  8  1  0     0  0
 30 33  1  0     0  0
 26 28  2  0     0  0
M  END

$$$$
D0C1WR
  -OEChem-04152111262D

 72 74  0     1  0  0  0  0  0999 V2000
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    2.0000   -1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6962    3.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    2.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  1  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
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 37 71  1  0  0  0  0
M  END

$$$$
D0C1ZO
  -OEChem-10191523002D

 64 68  0     0  0  0  0  0  0999 V2000
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M  ISO  3  43   3  44   3  45   3
M  END

$$$$
D0C2AR
          01210517112D 1   1.00000     0.00000     0

 60 62  0     0  0            999 V2000
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  2  5  1  0     0  0
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 10  3  1  0     0  0
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 13  4  1  0     0  0
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 27  9  1  0     0  0
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 30 27  1  0     0  0
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 32 21  2  0     0  0
 33 18  2  0     0  0
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 35 19  2  0     0  0
 36 24  2  0     0  0
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 39  8  1  0     0  0
 40 25  1  0     0  0
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 42 26  1  0     0  0
 43 25  1  0     0  0
 44 16  1  0     0  0
 45 39  1  0     0  0
 46  6  1  0     0  0
 47 13  1  0     0  0
 48 45  1  0     0  0
 49 38  1  0     0  0
 50 37  1  0     0  0
 51  1  1  0     0  0
 52 11  1  0     0  0
 53  4  1  0     0  0
 54 19  1  0     0  0
 55 20  1  0     0  0
 56 18  1  0     0  0
 57 21  1  0     0  0
 58 24  1  0     0  0
 60 39  1  0     0  0
 14 10  1  0     0  0
  7  2  1  0     0  0
 28  9  1  0     0  0
 47 30  1  0     0  0
M  CHG  1  59   3
M  END

$$$$
D0C2BP
  -OEChem-03141904462D

 49 50  0     0  0  0  0  0  0999 V2000
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    2.2690    1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 48  1  0  0  0  0
M  END

$$$$
D0C2FJ
  -OEChem-02041520402D

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 35 61  1  0  0  0  0
 36 62  1  0  0  0  0
M  END

$$$$
D0C2HI
  -OEChem-10101305032D

 46 49  0     0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
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 18 38  1  0  0  0  0
 19 22  2  0  0  0  0
 19 39  1  0  0  0  0
 20 24  2  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
 25 46  1  0  0  0  0
M  END

$$$$
D0C2KF
          11120900392D 1   1.00000     0.00000     0

 17 18  0     1  0            999 V2000
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   -4.7818   -1.4482    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.0584   -1.1209    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1667   -2.6625    0.0000 O   0  0  0  0  0  0           0  0  0
  5 10  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  5  6  1  0     0  0
  1 11  1  0     0  0
  8 12  1  6     0  0
  2  3  1  0     0  0
 12 13  1  0     0  0
  3  6  2  0     0  0
 13 14  1  0     0  0
  1  2  2  0     0  0
 14 15  1  0     0  0
  5  4  2  0     0  0
 14 16  2  0     0  0
  4  1  1  0     0  0
 14 17  2  0     0  0
M  END

$$$$
D0C2NT
  -OEChem-03141904472D

 45 48  0     0  0  0  0  0  0999 V2000
    9.8815   -3.2720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6967   -4.0443    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 13 16  2  0  0  0  0
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 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
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 16 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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 27 41  1  0  0  0  0
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 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END

$$$$
D0C2OR
          09161000072D 1   1.00000     0.00000     0

 41 42  0     1  0            999 V2000
   -1.1793   -1.1931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4655   -1.6000    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8897   -1.6034    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1828   -0.3655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4621   -2.4310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2483   -1.1862    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8931   -2.4310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9000    0.0414    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.4690    0.0483    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1793   -2.8448    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.6069   -2.8448    0.0000 N   0  3  0  0  0  0           0  0  0
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   -2.6069   -3.6690    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.3207   -2.4310    0.0000 O   0  5  0  0  0  0           0  0  0
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 13 18  1  1     0  0
 19 14  1  6     0  0
 17 20  1  0     0  0
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 19 24  1  0     0  0
 20 25  1  0     0  0
 22 26  1  0     0  0
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 24 29  2  0     0  0
 25 30  1  1     0  0
 26 31  1  0     0  0
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 30 35  1  0     0  0
 34 36  1  0     0  0
 35 37  1  0     0  0
 36 38  1  0     0  0
 36 39  2  0     0  0
 37 40  1  0     0  0
 40 41  1  0     0  0
  7 10  1  0     0  0
 25 27  1  0     0  0
M  CHG  2  12   1  16  -1
M  END

$$$$
D0C2ZL
  -OEChem-10121500322D

 54 57  0     0  0  0  0  0  0999 V2000
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$$$$
D0C3AA
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M  END

$$$$
D0C3BA
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M  ENDM  END

$$$$
D0C3CZ
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 52 54  1  0  0  0  0
 53 54  2  0  0  0  0
 53 95  1  0  0  0  0
 54 96  1  0  0  0  0
M  END

$$$$
D0C3JB
  -OEChem-03141904452D

 42 42  0     1  0  0  0  0  0999 V2000
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   10.3312    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7297    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7341    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15  9  1  1  0  0  0
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 16 10  1  1  0  0  0
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 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D0C3UC
          10100700062D 1   1.00000     0.00000     0

 20 21  0     1  0            999 V2000
    3.0542   -2.7375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5042   -2.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6667   -3.0917    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4042   -3.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0167   -3.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4417   -3.0917    0.0000 N   0  0  3  0  0  0           0  0  0
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    4.8917   -3.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0542   -2.0292    0.0000 O   0  0  0  0  0  0           0  0  0
    6.1792   -2.9542    0.0000 C   0  0  1  0  0  0           0  0  0
    4.2792   -2.7375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1792   -1.8042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6000   -2.3792    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.8292   -2.7375    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4417   -3.8000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2167   -3.0917    0.0000 C   0  0  0  0  0  0           0  0  0
  2  8  2  0     0  0
  3  1  1  0     0  0
  4 17  1  0     0  0
  5  4  3  0     0  0
  6  1  1  0     0  0
  7 14  2  0     0  0
  8 11  1  0     0  0
  9  1  2  0     0  0
 10  2  1  0     0  0
 11  3  1  0     0  0
 12  7  1  0     0  0
 13 10  1  0     0  0
 14 16  1  0     0  0
 10 15  1  1     0  0
 16 11  2  0     0  0
 17 15  1  0     0  0
 18  6  1  0     0  0
 19  6  1  0     0  0
 20 18  1  0     0  0
  2  7  1  0     0  0
 12 13  1  0     0  0
M  END

$$$$
D0C3ZR
  -OEChem-10121500422D

 40 43  0     0  0  0  0  0  0999 V2000
    2.5369   -1.1550    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
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    8.6270    0.3797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3972    0.3692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1550    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
 11 15  2  0  0  0  0
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 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  1  0  0  0  0
 16 28  1  0  0  0  0
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 18 30  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 22 31  1  0  0  0  0
 23 25  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
M  END

$$$$
D0C3ZZ
  -OEChem-04152111322D

 49 51  0     1  0  0  0  0  0999 V2000
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 26 49  1  0  0  0  0
M  END

$$$$
D0C4QN
  -OEChem-04152110172D

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M  END

$$$$
D0C4WC
          09171000582D 1   1.00000     0.00000     0

110111  0     1  0            999 V2000
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   -3.1862   -0.1241    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.1655   -2.0103    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0448    0.3828    0.0000 C   0  0  1  0  0  0           0  0  0
    0.5586   -0.5793    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4483   -0.3897    0.0000 C   0  0  2  0  0  0           0  0  0
   -3.1655   -2.6241    0.0000 S   0  0  0  0  0  0           0  0  0
   -0.4379    0.0276    0.0000 N   0  0  0  0  0  0           0  0  0
    0.0483    1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9414   -0.7345    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4483    0.2310    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6345   -2.9310    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6931    0.0310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6862   -0.7310    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.9379   -1.3483    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9172    0.5379    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2000   -0.3138    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.6897    0.6448    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2000   -1.0862    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.9172    1.1517    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6862    0.0379    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.2000   -0.9310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2000   -1.7034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6931   -0.7414    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4483    1.4586    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.3862    1.4552    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9414    0.0379    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6690   -1.2379    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6690   -2.0103    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5172   -0.7310    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6897   -0.1241    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4483    0.3828    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.9379   -0.5793    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1379   -0.9310    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6690   -1.8517    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1379   -1.7034    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.6690   -2.6241    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.9345    0.0276    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.4483    1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1897    0.0310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9172    1.3069    0.0000 C   0  0  3  0  0  0           0  0  0
   -3.6966   -0.3138    0.0000 C   0  0  1  0  0  0           0  0  0
   -3.1862    0.6448    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9172    1.9207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3862    1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1828    0.0379    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.6966   -0.9310    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4345    0.0414    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1655   -1.2379    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.9448    0.3862    0.0000 C   0  0  2  0  0  0           0  0  0
   -4.4345   -0.5759    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.9448    1.0034    0.0000 C   0  0  1  0  0  0           0  0  0
   -5.4310    0.0310    0.0000 N   0  0  0  0  0  0           0  0  0
   -5.4759    1.3103    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4138    1.3103    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.6103    0.0448    0.0000 H   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  2  0     0  0
  2  6  1  0     0  0
  7  3  1  1     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
  7 12  1  0     0  0
  9 13  2  0     0  0
 11 14  1  0     0  0
 12 15  1  0     0  0
 12 16  2  0     0  0
 17 14  1  6     0  0
 14 18  2  0     0  0
 15 19  1  0     0  0
 17 20  1  0     0  0
 17 21  1  0     0  0
 19 22  1  0     0  0
 19 23  1  6     0  0
 20 24  1  0     0  0
 21 25  1  0     0  0
 21 26  1  1     0  0
 22 27  1  0     0  0
 22 28  2  0     0  0
 29 24  1  1     0  0
 24 30  2  0     0  0
 25 31  1  0     0  0
 27 32  1  0     0  0
 29 33  1  0     0  0
 29 34  1  0     0  0
 32 35  1  0     0  0
 32 36  1  1     0  0
 33 37  1  0     0  0
 34 38  1  0     0  0
 34 39  1  6     0  0
 35 40  1  0     0  0
 35 41  2  0     0  0
 36 42  1  0     0  0
 37 43  1  0     0  0
 37 44  2  0     0  0
 38 45  1  0     0  0
 40 46  1  0     0  0
 42 47  1  0     0  0
 43 48  1  0     0  0
 43 49  1  6     0  0
 46 50  1  0     0  0
 46 51  1  6     0  0
 47 52  1  0     0  0
 48 53  1  0     0  0
 49 54  1  0     0  0
 50 55  1  0     0  0
 50 56  2  0     0  0
 51 57  1  0     0  0
 53 58  1  0     0  0
 53 59  2  0     0  0
 55 60  1  0     0  0
 57 61  1  0     0  0
 58 62  1  0     0  0
 58 63  1  1     0  0
 60 64  1  0     0  0
 60 65  1  1     0  0
 61 66  1  0     0  0
 62 67  1  0     0  0
 64 68  1  0     0  0
 64 69  2  0     0  0
 65 70  1  0     0  0
 67 71  1  0     0  0
 67 72  2  0     0  0
 68 73  1  0     0  0
 70 74  1  0     0  0
 71 75  1  0     0  0
 71 76  1  6     0  0
 73 77  1  6     0  0
 73 78  1  0     0  0
 74 79  1  0     0  0
 74 80  2  0     0  0
 75 81  1  0     0  0
 76 82  1  0     0  0
 77 83  1  0     0  0
 78 84  1  0     0  0
 78 85  2  0     0  0
 81 86  1  0     0  0
 81 87  2  0     0  0
 82 88  1  0     0  0
 82 89  2  0     0  0
 83 90  1  0     0  0
 83 91  2  0     0  0
 86 92  1  0     0  0
 86 93  1  1     0  0
 92 94  1  0     0  0
 93 95  1  0     0  0
 94 96  1  0     0  0
 94 97  2  0     0  0
 95 98  1  0     0  0
 95 99  1  0     0  0
 96100  1  0     0  0
 96101  1  6     0  0
100102  1  0     0  0
101103  1  0     0  0
104102  1  1     0  0
102105  2  0     0  0
104106  1  0     0  0
104107  1  0     0  0
106108  1  0     0  0
106109  1  1     0  0
  5  8  1  0     0  0
 10 13  1  0     0  0
107110  1  0     0  0
M  STY  8   1 SUP   2 SUP   3 SUP   4 SUP   5 SUP   6 SUP   7 SUP   8 SUP
M  STY  8   9 SUP  10 SUP  11 SUP  12 SUP  13 SUP  14 SUP  15 SUP  16 SUP
M  SLB  8   1   2   2   3   3   4   4   5   5   6   6   7   7   8   8   9
M  SLB  8   9  10  10  11  11  12  12  13  13  14  14  15  15  16  16  17
M  SAL   1 14   1   2   3   4   5   6   7   8   9  10  11  12  13  16
M  SBL   1  2  13  14
M  SMT   1 Trp
M  SBV   1  13   -0.2552    0.0000
M  SBV   1  14    0.2621    0.0000
M  SCL   1 AA
M  SAP   1  2  11  14 Al  12  15 Br
M  SAL   2  8  40  46  50  51  56  57  61  66
M  SBL   2  2  39  54
M  SMT   2 Met
M  SBV   2  39   -0.2621    0.0000
M  SBV   2  54    0.2552    0.0000
M  SCL   2 AA
M  SAP   2  2  40  35 Al  50  55 Br
M  SAL   3  9  55  60  64  65  69  70  74  79  80
M  SBL   3  2  54  67
M  SMT   3 Gln
M  SBV   3  54   -0.2552    0.0000
M  SBV   3  67    0.2621    0.0000
M  SCL   3 AA
M  SAP   3  2  55  50 Al  64  68 Br
M  SAL   4  7 102 104 105 106 107 108 109
M  SBL   4  2 101 111
M  SMT   4 Thr
M  SCL   4 AA
M  SAP   4  2 107   0 Al 102 100 Br
M  SAL   5  5  53  58  59  62  63
M  SBL   5  2  52  66
M  SMT   5 Ala
M  SBV   5  66   -0.2552    0.0000
M  SBV   5  52    0.2621    0.0000
M  SCL   5 AA
M  SAP   5  2  62  67 Al  53  48 Br
M  SAL   6  8  81  86  87  92  93  95  98  99
M  SBL   6  2  80  93
M  SMT   6 Leu
M  SBV   6  93   -0.2552    0.0000
M  SBV   6  80    0.2621    0.0000
M  SCL   6 AA
M  SAP   6  2  92  94 Al  81  75 Br
M  SAL   7  8  24  29  30  33  34  38  39  45
M  SBL   7  2  23  36
M  SMT   7 Ile
M  SBV   7  36   -0.2552    0.0000
M  SBV   7  23    0.2621    0.0000
M  SCL   7 AA
M  SAP   7  2  33  37 Al  24  20 Br
M  SAL   8  8  27  32  35  36  41  42  47  52
M  SBL   8  2  26  39
M  SMT   8 Met
M  SBV   8  26   12.2276    0.7690
M  SBV   8  39    0.2621    0.0000
M  SCL   8 AA
M  SAP   8  2  27  22 Al  35  40 Br
M  SAL   9  5  15  19  22  23  28
M  SBL   9  2  14  26
M  SMT   9 Ala
M  SBV   9  14   -0.2621    0.0000
M  SBV   9  26  -12.2276   -0.7690
M  SCL   9 AA
M  SAP   9  2  15  12 Al  22  27 Br
M  SAL  10  8  68  73  77  78  83  85  90  91
M  SBL  10  2  67  83
M  SMT  10 Asn
M  SBV  10  67   -0.2621    0.0000
M  SBV  10  83    0.1724    0.0069
M  SCL  10 AA
M  SAP  10  2  68  64 Al  78  84 Br
M  SAL  11  6  94  96  97 100 101 103
M  SBL  11  2  93 101
M  SMT  11 Ser
M  SBV  11 101   -0.2621    0.0000
M  SBV  11  93    0.2552    0.0000
M  SCL  11 AA
M  SAP  11  2 100 102 Al  94  92 Br
M  SAL  12  6  37  43  44  48  49  54
M  SBL  12  2  36  52
M  SMT  12 Ser
M  SBV  12  52   -0.2621    0.0000
M  SBV  12  36    0.2552    0.0000
M  SCL  12 AA
M  SAP  12  2  48  53 Al  37  33 Br
M  SAL  13  8  14  17  18  20  21  25  26  31
M  SBL  13  2  13  23
M  SMT  13 Ile
M  SBV  13  23   -0.2621    0.0000
M  SBV  13  13    0.2552    0.0000
M  SCL  13 AA
M  SAP  13  2  20  24 Al  14  11 Br
M  SAL  14  8  67  71  72  75  76  82  88  89
M  SBL  14  2  66  80
M  SMT  14 Asp
M  SBV  14  80   -0.2621    0.0000
M  SBV  14  66    0.2552    0.0000
M  SCL  14 AA
M  SAP  14  2  75  81 Al  67  62 Br
M  SAL  15  1  84
M  SBL  15  1  83
M  SMT  15 OH
M  SBV  15  83   -0.1724   -0.0069
M  SCL  15 LGRP
M  SAL  16  1 110
M  SBL  16  1 111
M  SMT  16 NH2
M  END

$$$$
D0C5CE
  -OEChem-10101305022D

106109  0     1  0  0  0  0  0999 V2000
    7.5299    0.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7815    3.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999   14.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4827   14.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    2.4030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5299    2.9030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3960    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3060    2.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3140    3.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139    3.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119    4.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8960    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    2.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    0.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081    5.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    1.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    2.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998    0.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979   16.2292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6319   15.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1319    1.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979   17.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319   17.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   16.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   17.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319   14.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4827   16.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   14.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979   14.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999   17.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8248   17.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1255   15.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319   12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979   13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319   11.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   11.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1288    1.9723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2628    3.3336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5105    2.3245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9176    3.0112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9240    3.8406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    4.5335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9734    4.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2060    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4329    0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960    0.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0160    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960    2.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7771    0.2483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0281    5.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4057    6.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7881    5.4698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3282    2.7358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6031    0.4023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4002    0.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2482    4.2537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100   15.6466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0C5JQ
  -OEChem-04152111182D

 69 72  0     0  0  0  0  0  0999 V2000
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 33 69  1  0  0  0  0
M  END

$$$$
D0C5NP
  -OEChem-04152111142D

 64 66  0     1  0  0  0  0  0999 V2000
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  1 23  1  0  0  0  0
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  3 19  2  0  0  0  0
  4 22  1  0  0  0  0
  4 59  1  0  0  0  0
  5 22  2  0  0  0  0
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 12  7  1  1  0  0  0
  7 19  1  0  0  0  0
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 10 39  1  0  0  0  0
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 14 17  2  0  0  0  0
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 16 22  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 51  1  0  0  0  0
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 18 52  1  0  0  0  0
 19 24  1  0  0  0  0
 20 23  2  0  0  0  0
 20 53  1  0  0  0  0
 21 23  1  0  0  0  0
 21 54  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 55  1  0  0  0  0
 26 29  2  0  0  0  0
 26 56  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 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
 32 34  2  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  END

$$$$
D0C5VQ
  -OEChem-10101305022D

 57 61  0     1  0  0  0  0  0999 V2000
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   15.1225    0.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5923   -1.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4584   -1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5961    0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -1.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3523   -1.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3523    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2584   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2584   -1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7900    0.5846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7263    0.3895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -1.8505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3908    1.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3451    0.9241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7941   -1.5634    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 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
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  3 25  1  0  0  0  0
 15  4  1  6  0  0  0
  4 48  1  0  0  0  0
  5 20  1  0  0  0  0
  5 51  1  0  0  0  0
  6 22  2  0  0  0  0
  7 28  1  0  0  0  0
  7 52  1  0  0  0  0
  8 30  1  0  0  0  0
  8 35  1  0  0  0  0
  9 32  1  0  0  0  0
  9 53  1  0  0  0  0
 10 34  1  0  0  0  0
 10 54  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  1  0  0  0
 11 36  1  0  0  0  0
 12 20  1  6  0  0  0
 12 37  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 14 19  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 23  1  0  0  0  0
 18 26  2  0  0  0  0
 18 27  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
 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  2  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
 29 32  1  0  0  0  0
 29 47  1  0  0  0  0
 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

$$$$
D0C5WR
          06180800062D 1   1.00000     0.00000     0

 30 27  0     0  0            999 V2000
   -1.1712   -3.6215    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0879   -0.2225    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7128   -1.2325    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.7459   -2.5821    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.5257   -1.2616    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.5585   -2.6029    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.5088   -0.5743    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5754   -3.2902    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7544   -3.2696    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6960   -0.5452    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3294   -2.2427    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3126   -1.5554    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0954   -0.2390    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0162   -3.6423    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3586   -3.6049    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2792   -0.1933    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4413    0.2791    0.0000 Br  0  5  0  0  0  0           0  0  0
   -1.1938   -1.9913    0.0000 Co  0  1  0  0  0  0           0  0  0
   -4.5625   -2.2750    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8542   -2.2750    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.6342   -1.6027    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2084   -1.1833    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.7817   -1.6034    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0238   -1.2433    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5125   -2.3125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2208   -2.3125    0.0000 N   0  0  0  0  0  0           0  0  0
    1.4408   -1.6402    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8666   -1.2208    0.0000 N   0  0  0  0  0  0           0  0  0
    0.2933   -1.6409    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0512   -1.2808    0.0000 C   0  0  0  0  0  0           0  0  0
 11  4  1  0     0  0
 12  3  1  0     0  0
 13  7  1  0     0  0
 14  8  1  0     0  0
 15  9  1  0     0  0
 16 10  1  0     0  0
 12 11  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 19  2  0     0  0
  1  8  2  0     0  0
 21 24  1  0     0  0
 25 26  1  0     0  0
  2  7  2  0     0  0
  3 10  2  0     0  0
  4  9  2  0     0  0
  7  5  1  0     0  0
  8  6  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 25  2  0     0  0
  9  1  1  0     0  0
 27 30  1  0     0  0
 10  2  1  0     0  0
M  CHG  4   5  -1   6  -1  17  -1  18   3
M  END

$$$$
D0C6GK
  -OEChem-04152122312D

 83 88  0     1  0  0  0  0  0999 V2000
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   13.6869   -2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7560   -1.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7560    0.3992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6998    1.7029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1095   -0.8217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8686    1.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4939    0.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2010    0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2010   -0.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    0.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4081   -0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 79  1  0  0  0  0
 41 80  1  0  0  0  0
 41 81  1  0  0  0  0
M  END

$$$$
D0C6MS
  -OEChem-04152111212D

 47 49  0     1  0  0  0  0  0999 V2000
    2.5068    3.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7957    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 25 27  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
M  END

$$$$
D0C6QQ
          05270900582D 1   1.00000     0.00000     0

 19 21  0     0  0            999 V2000
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    3.6500   -2.5667    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.9750   -4.2042    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  1  0     0  0
  5  2  2  0     0  0
  6  4  2  0     0  0
  7  3  1  0     0  0
  8 13  2  0     0  0
  9  7  1  0     0  0
 10  7  2  0     0  0
 11  3  1  0     0  0
 12  4  1  0     0  0
 13 10  1  0     0  0
 14  9  2  0     0  0
 15  6  1  0     0  0
 16 11  1  0     0  0
 17 12  2  0     0  0
 18 16  1  0     0  0
 19 17  1  0     0  0
  6  5  1  0     0  0
 15 19  2  0     0  0
 14  8  1  0     0  0
M  END

$$$$
D0C6RM
  -OEChem-03141904472D

 65 68  0     1  0  0  0  0  0999 V2000
   14.2629   -3.3292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2629   -4.3292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2629    0.1349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 31 63  1  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
M  END

$$$$
D0C6VV
  -OEChem-10101305022D

 24 24  0     0  0  0  0  0  0999 V2000
    2.0000    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END

$$$$
D0C7WO
  -OEChem-10101305022D

 56 59  0     0  0  0  0  0  0999 V2000
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 28 29  2  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D0C7XM
  -OEChem-04152111342D

 36 36  0     0  0  0  0  0  0999 V2000
    4.5981    3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0C8AP
  -OEChem-04152111262D

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M  END

$$$$
D0C8DD
  -OEChem-10121501462D

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 24 27  1  0  0  0  0
 24 28  2  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 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END

$$$$
D0C8KF
  -OEChem-10121500322D

 45 47  0     0  0  0  0  0  0999 V2000
    3.3159    1.8527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5298    0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3798    1.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2778    2.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1799    1.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9604    0.0613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949    0.5401    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 34  1  0  0  0  0
  2 15  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
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  4 11  1  0  0  0  0
  5 16  1  0  0  0  0
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  6 39  1  0  0  0  0
  6 40  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 13  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
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 13 26  1  0  0  0  0
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 13 28  1  0  0  0  0
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 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  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 38  1  0  0  0  0
 22 23  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

$$$$
D0C8PE
  -OEChem-04152122302D

 43 45  0     0  0  0  0  0  0999 V2000
   11.5263    1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3660   -1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9330    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
    8.9282    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.4330    0.0000 C   0  0  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
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   10.1928   -1.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1233    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292   -0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 24  1  0  0  0  0
  3 26  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  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
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
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 19 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
 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
 25 26  1  0  0  0  0
M  END

$$$$
D0C8PI
  -OEChem-02041521322D

 42 44  0     0  0  0  0  0  0999 V2000
    8.5694    4.3008    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2699    3.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6711    2.2242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0888    1.5197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921    5.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230    5.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140    4.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432    4.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3522    6.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8522    3.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182    6.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1122    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3522    8.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0182    6.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3522    9.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1067    0.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 42  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  2  0  0  0  0
  5 16  1  0  0  0  0
  5 25  2  0  0  0  0
  6 19  1  0  0  0  0
  6 24  2  0  0  0  0
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  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8 25  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  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 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 13  2  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  2  0  0  0  0
 15 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END

$$$$
D0C9JJ
  -OEChem-10191523072D

 53 57  0     0  0  0  0  0  0999 V2000
    4.4527   -4.7717    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408   -3.4534    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7710   -4.2598    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8825    2.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4592    4.1657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0012   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0012   -1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3371   -1.7349    0.0000 C   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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 33 34  1  0  0  0  0
 34 50  1  0  0  0  0
 34 51  1  0  0  0  0
M  END

$$$$
D0C9MA
  -OEChem-03141904472D

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 37 38  1  0  0  0  0
 38 59  1  0  0  0  0
 38 60  1  0  0  0  0
 38 61  1  0  0  0  0
M  END

$$$$
D0C9NJ
  -OEChem-10101305022D

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 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END

$$$$
D0C9PZ
  -OEChem-03141904512D

 38 40  0     1  0  0  0  0  0999 V2000
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 10  5  1  6  0  0  0
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 25 38  1  0  0  0  0
M  END

$$$$
D0C9WN
          05130900152D 1   1.00000     0.00000     0

 76 79  0     1  0            999 V2000
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   10.4203   -3.4150    0.0000 C   0  0  2  0  0  0           0  0  0
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 20  8  1  0     0  0
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 10 66  2  0     0  0
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 38 39  1  0     0  0
 67 75  1  6     0  0
  1  2  1  0     0  0
 63 76  1  1     0  0
M  END

$$$$
D0C9XA
  -OEChem-10101305022D

 16 15  0     0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
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  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END

$$$$
D0CB2B
  -OEChem-03141904542D

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M  END

$$$$
D0CC8L
  SciTegic03281318312D

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

$$$$
D0CE0O
          08190900312D 1   1.00000     0.00000     0

 87 87  0     1  0            999 V2000
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 81 66  1  0     0  0
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 19 23  1  0     0  0
 60 83  1  0     0  0
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 32 85  1  1     0  0
  2  1  1  0     0  0
 48 86  1  0     0  0
  3 18  1  0     0  0
 48 87  1  0     0  0
  4  1  1  0     0  0
M  END

$$$$
D0CE6C
  -OEChem-03141904532D

 56 59  0     0  0  0  0  0  0999 V2000
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   11.0109    3.8780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0327    3.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7880   -1.7418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 40  1  0  0  0  0
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 18 48  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 50  1  0  0  0  0
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 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$
D0CE8J
  -OEChem-04152108472D

 37 38  0     1  0  0  0  0  0999 V2000
    2.8660    2.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6808    2.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  1  0  0  0
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 18 34  1  0  0  0  0
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 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END

$$$$
D0CF3M
  -OEChem-04152122312D

638643  0     1  0  0  0  0  0999 V2000
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   14.4606    6.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9869  -12.1151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0CG8S
  -OEChem-10191521152D

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 29 30  1  0  0  0  0
M  END

$$$$
D0CH7C
  -OEChem-03141904502D

 51 54  0     0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
M  END

$$$$
D0CI9T
  -OEChem-04152109342D

 58 62  0     1  0  0  0  0  0999 V2000
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END

$$$$
D0CN9Q
  -OEChem-10121501472D

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M  END

$$$$
D0CO3N
  -OEChem-10191521152D

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 22 46  1  0  0  0  0
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 23 26  1  0  0  0  0
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 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

$$$$
D0CO6D
  -OEChem-04152111272D

 44 46  0     1  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
 29 32  1  0  0  0  0
 30 43  1  0  0  0  0
M  END

$$$$
D0CR7L
  -OEChem-03141904462D

 65 68  0     1  0  0  0  0  0999 V2000
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   15.0583    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 51  1  0  0  0  0
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 22 27  1  0  0  0  0
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 25 28  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 62  1  0  0  0  0
 31 32  1  0  0  0  0
 33 65  1  0  0  0  0
M  END

$$$$
D0CS2C
  -OEChem-10111523162D

 64 67  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0CT5O
  -OEChem-03141904522D

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M  END

$$$$
D0CT7M
          09250901222D 1   1.00000     0.00000     0

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 45 51  1  0     0  0
 45 52  2  0     0  0
 48 53  1  0     0  0
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 53 56  1  0     0  0
 53 57  2  0     0  0
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 55 59  1  0     0  0
 58 60  1  0     0  0
 59 61  1  0     0  0
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 60 63  1  0     0  0
 63 64  1  0     0  0
  6  9  1  0     0  0
 17 18  1  0     0  0
 46 47  1  0     0  0
M  END

$$$$
D0CU1T
  -OEChem-03141904552D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Sb  0  0  0  0  0 15  0  0  0  0  0  0
M  END

$$$$
D0CW8S
  -OEChem-03141904462D

 56 58  0     0  0  0  0  0  0999 V2000
   13.2583   -1.7694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923   -2.1354    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7793    1.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26 28  2  0  0  0  0
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 27 30  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 55  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D0CY1B
  -OEChem-10101305032D

 46 49  0     0  0  0  0  0  0999 V2000
    4.0015   -1.4357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7663    2.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1682    0.0588    0.0000 C   0  0  0  0  0  0  0  0  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
M  END

$$$$
D0CZ1A
  -OEChem-02041520512D

 65 65  0     0  0  0  0  0  0999 V2000
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 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
M  END

$$$$
D0D0LH
  -OEChem-04152111152D

 58 61  0     0  0  0  0  0  0999 V2000
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 25 27  2  0  0  0  0
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 26 28  2  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
M  END

$$$$
D0D0PB
  -OEChem-04152111192D

 41 44  0     0  0  0  0  0  0999 V2000
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    4.5716   -2.6307    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0D1CL
  -OEChem-10101305022D

 51 54  0     1  0  0  0  0  0999 V2000
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 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END

$$$$
D0D1EV
          01210517082D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
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  2  1  1  0     0  0
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 10  2  1  0     0  0
 11  5  1  0     0  0
 12 14  1  0     0  0
 13  3  1  0     0  0
 14 10  1  0     0  0
M  END

$$$$
D0D1FC
  -OEChem-04152111042D

 65 68  0     1  0  0  0  0  0999 V2000
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 35 63  1  0  0  0  0
M  END

$$$$
D0D1GF
  -OEChem-10191522552D

 80 85  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0D1JP
  -OEChem-02061504192D

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M  END

$$$$
D0D1LS
  -OEChem-04152109022D

 29 30  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0D1ZF
  -OEChem-04152111322D

 39 40  0     1  0  0  0  0  0999 V2000
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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    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6200    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 11  1  0  0  0  0
  7  4  1  1  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 11 12  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
 13 28  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 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  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 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

$$$$
D0D2LF
          01210517072D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
    3.4292   -2.0417    0.0000 N   0  0  0  0  0  0           0  0  0
    4.1042   -2.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1000   -2.9750    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0042   -2.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4250   -3.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8667   -2.8750    0.0000 N   0  0  0  0  0  0           0  0  0
    6.6250   -2.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7792   -2.2000    0.0000 N   0  0  0  0  0  0           0  0  0
    7.5792   -2.8625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -3.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7167   -1.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1875   -1.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3292   -2.2750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9417   -1.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3250   -2.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2292   -3.7417    0.0000 Cl  0  0  0  0  0  0           0  0  0
    3.1292   -3.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3000   -2.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4167   -3.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0042   -3.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5250   -3.7417    0.0000 H   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  1  1  0     0  0
  5  4  2  0     0  0
  6  7  1  0     0  0
  7 14  1  0     0  0
  8 12  1  0     0  0
  9  6  2  0     0  0
 10  3  1  0     0  0
 11  2  1  0     0  0
 12  7  2  0     0  0
 13 11  2  0     0  0
 14 13  1  0     0  0
 15 13  1  0     0  0
 17  5  1  0     0  0
 18  4  1  0     0  0
 19 20  1  0     0  0
 20 18  2  0     0  0
 21 16  1  0     0  0
  3  5  1  0     0  0
 19 17  2  0     0  0
 15 10  2  0     0  0
  9  8  1  0     0  0
M  END

$$$$
D0D2TZ
          06060800382D 1   1.00000     0.00000     0

 28 28  0     1  0            999 V2000
   -2.5698   -3.0358    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.9783   -2.6033    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3526   -3.7775    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3554   -3.0244    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9780   -1.8483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3292   -0.7208    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3292   -1.4708    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6796   -1.8458    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0301   -1.4708    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0301   -0.7208    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6796   -0.3458    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6194   -0.3458    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8948   -3.0267    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.3033   -3.4592    0.0000 C   0  0  2  0  0  0           0  0  0
    0.3224   -2.2850    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3196   -3.0381    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3030   -4.2142    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3467   -4.5890    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7802   -3.0358    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3717   -2.6033    0.0000 C   0  0  2  0  0  0           0  0  0
    1.9974   -3.7775    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9946   -3.0244    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3720   -1.8483    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0217   -1.4735    0.0000 C   0  0  3  0  0  0           0  0  0
    2.0220   -0.7235    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6710   -1.8488    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2083   -3.0250    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.7917   -3.0208    0.0000 H   0  0  0  0  0  0           0  0  0
 11  6  1  0     0  0
  4  3  2  0     0  0
 10 12  1  0     0  0
  2  5  1  1     0  0
 16 19  1  0     0  0
 13 14  1  0     0  0
 14 16  1  0     0  0
 16 15  2  0     0  0
 14 17  1  6     0  0
  5  7  1  0     0  0
 22 27  1  0     0  0
 17 18  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
 19 20  1  0     0  0
 20 22  1  0     0  0
 22 21  2  0     0  0
 20 23  1  1     0  0
  4 13  1  0     0  0
  8  9  2  0     0  0
  1  2  1  0     0  0
 23 24  1  0     0  0
  9 10  1  0     0  0
 24 25  1  0     0  0
  2  4  1  0     0  0
 24 26  1  0     0  0
 10 11  2  0     0  0
  1 28  1  0     0  0
M  STY  5   1 SUP   2 SUP   3 SUP   4 SUP   5 SUP
M  SLB  5   1   1   2   3   3   4   4   5   5   6
M  SAL   1  6  13  14  15  16  17  18
M  SBL   1  2   5  19
M  SMT   1 Ser
M  SBV   1  19   -0.4600    0.0000
M  SBV   1   5    0.4600    0.0000
M  SCL   1 AA
M  SAP   1  2  13   4 Al  16  19 Br
M  SAL   2  8  19  20  21  22  23  24  25  26
M  SBL   2  2   5  11
M  SMT   2 Leu
M  SBV   2   5   -0.4600    0.0000
M  SBV   2  11    0.2100    0.0000
M  SCL   2 AA
M  SAP   2  2  19  16 Al  22  27 Br
M  SAL   3 12   1   2   3   4   5   6   7   8   9  10  11  12
M  SBL   3  2  19  28
M  SMT   3 Tyr
M  SBV   3  19    0.4600    0.0000
M  SCL   3 AA
M  SAP   3  2   4  13 Br   1   0 Al
M  SAL   4  1  27
M  SBL   4  1  11
M  SMT   4 COOH
M  SBV   4  11   -0.2100    0.0000
M  SCL   4 LGRP
M  SAL   5  1  28
M  SBL   5  1  28
M  SMT   5 NH2
M  END

$$$$
D0D3AI
  -OEChem-10121500342D

 31 30  0     1  0  0  0  0  0999 V2000
    2.8660   -3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9400    0.0000 O   0  5  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
    4.5981   -2.0600    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
    6.3301    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4400    0.0000 N   0  3  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
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    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
    5.4641    2.4400    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
    3.5200    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6800    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
    1.6900   -3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    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 14  2  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
 12  5  1  6  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
 10 11  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
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  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
 13 23  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  CHG  2   3  -1   9   1
M  END

$$$$
D0D3TX
  -OEChem-10101305032D

 38 41  0     1  0  0  0  0  0999 V2000
    2.8660    2.8899    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.6947    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1760   -0.4757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1760   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.0239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1419   -1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7618   -2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1419   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3753   -2.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5246    0.5967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0879   -2.3522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7613   -1.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3234   -3.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2002   -3.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9754    1.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0694    1.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6489   -1.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6008   -2.6052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7613   -0.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1960   -0.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -0.5041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  2  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
  7  5  1  1  0  0  0
  5 13  1  0  0  0  0
  5 34  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 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  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
  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
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 35  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
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  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
M  END

$$$$
D0D3VT
  -OEChem-04152109312D

 37 40  0     1  0  0  0  0  0999 V2000
    2.8096   -1.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6129   -2.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.7371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.7371    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6660    1.2371    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4421    1.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    0.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0D3XM
  -OEChem-04152111242D

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M  END

$$$$
D0D4CX
  -OEChem-04152110432D

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 21  1  1  1  0  0  0
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 71118  1  0  0  0  0
 72119  1  0  0  0  0
 72120  1  0  0  0  0
M  END

$$$$
D0D4JI
          01210517112D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
    2.9625   -3.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9625   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5750   -2.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5750   -4.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4167   -3.7250    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0250   -2.6542    0.0000 N   0  0  3  0  0  0           0  0  0
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    2.3500   -2.6667    0.0000 C   0  0  3  0  0  0           0  0  0
    4.1875   -3.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6375   -3.0167    0.0000 C   0  0  3  0  0  0           0  0  0
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  2  1  1  0     0  0
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  5  7  2  0     0  0
  6 14  1  0     0  0
  7  9  1  0     0  0
  8  2  1  0     0  0
  9  4  1  0     0  0
 10  6  1  0     0  0
 11  1  1  0     0  0
 12  9  2  0     0  0
 14  5  1  0     0  0
 15  6  1  0     0  0
 16  8  1  0     0  0
 17  8  1  0     0  0
 18 10  1  0     0  0
 19 10  1  0     0  0
 20 15  1  0     0  0
 21 19  1  0     0  0
 22 18  1  0     0  0
 23 17  1  0     0  0
 24 16  1  0     0  0
 25 22  1  0     0  0
 26 24  1  0     0  0
 27 13  1  0     0  0
 12  3  1  0     0  0
 23 26  1  0     0  0
 21 25  1  0     0  0
M  END

$$$$
D0D4LS
  -OEChem-04152109092D

 17 18  0     0  0  0  0  0  0999 V2000
    3.7320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 N   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
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -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
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  1  9  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 14  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
M  END

$$$$
D0D4OL
          01210517132D 1   1.00000     0.00000     0

 33 36  0     1  0            999 V2000
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   -0.1417    2.3167    0.0000 N   0  0  0  0  0  0           0  0  0
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   -0.6000   -0.0542    0.0000 O   0  0  0  0  0  0           0  0  0
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  5  8  1  0     0  0
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  7  1  1  0     0  0
  8 11  1  0     0  0
  9  3  1  0     0  0
 10  5  2  0     0  0
 11  9  1  0     0  0
 12  4  1  0     0  0
 13  6  2  0     0  0
 14 17  2  0     0  0
 15  7  2  0     0  0
 16 10  1  0     0  0
 17 18  1  0     0  0
 18 23  1  0     0  0
 19  7  1  0     0  0
 20 15  1  0     0  0
 21 22  1  0     0  0
 22 18  2  0     0  0
 23 20  2  0     0  0
 24 15  1  0     0  0
 25  8  2  0     0  0
 26  2  2  0     0  0
 27 11  2  0     0  0
 28 19  2  0     0  0
 29 13  1  0     0  0
 30 19  1  0     0  0
 31 25  1  0     0  0
  4 32  1  6     0  0
  3 33  1  6     0  0
  2  3  1  0     0  0
 12 24  1  0     0  0
 14 21  1  0     0  0
 13 16  1  0     0  0
M  END

$$$$
D0D4RF
  -OEChem-10101305022D

 77 78  0     1  0  0  0  0  0999 V2000
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    3.6233   -8.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -6.5126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  1  0  0  0
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 12  6  1  6  0  0  0
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 29 31  1  0  0  0  0
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 33 73  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

$$$$
D0D4VH
  SciTegic01161211222D

 28 31  0  0  0  0            999 V2000
    1.7305    2.6477    0.0000 C   0  0
    0.9057    2.6697    0.0000 C   0  0
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   -2.6867    0.3390    0.0000 C   0  0
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   -5.0347   -0.4311    0.0000 Cl  0  0
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 13 14  2  0
  1  2  1  0
  7  8  2  0
  1  6  1  0
 28 13  1  0
 14 15  1  0
 16 28  1  0
  8  9  1  0
 16 17  1  0
  2  3  1  0
 17 18  2  0
  9 10  2  0
 18 19  1  0
  3  4  1  0
 19 20  2  0
 10 11  1  0
 20 21  1  0
  4  5  1  0
 21 22  2  0
 22 17  1  0
 11 12  2  0
 14 23  1  0
 23  3  1  0
 12  7  1  0
 13 24  1  0
  5  6  1  0
  6 25  1  0
 12 28  1  0
  9 26  1  0
 15 16  2  0
 20 27  1  0
M  ENDM  END

$$$$
D0D4VV
  -OEChem-10121501522D

 49 52  0     1  0  0  0  0  0999 V2000
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   10.3037    2.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
 11  3  1  6  0  0  0
  3 13  1  0  0  0  0
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 10 12  2  0  0  0  0
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 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
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 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D0D4ZM
  -OEChem-10111523362D

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

$$$$
D0D4ZW
  -OEChem-08301509502D

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 57149  1  0  0  0  0
 57150  1  0  0  0  0
M  END

$$$$
D0D5CY
  -OEChem-04152110422D

 47 50  0     1  0  0  0  0  0999 V2000
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 28 45  1  0  0  0  0
M  END

$$$$
D0D5TN
  -OEChem-02061504062D

 33 33  0     0  0  0  0  0  0999 V2000
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 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 26  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
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 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END

$$$$
D0D5VJ
  -OEChem-10121501562D

104110  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0D5ZJ
  -OEChem-10121501452D

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 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END

$$$$
D0D5ZV
  -OEChem-02041520572D

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 42 80  1  0  0  0  0
M  END

$$$$
D0D6MV
  -OEChem-04152111282D

110114  0     1  0  0  0  0  0999 V2000
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 54100  1  0  0  0  0
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 58107  1  0  0  0  0
 58108  1  0  0  0  0
M  END

$$$$
D0D6SZ
  -OEChem-04152108572D

 26 27  0     1  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
M  END

$$$$
D0D6XT
  -OEChem-03141904462D

 77 80  0     0  0  0  0  0  0999 V2000
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 43 77  1  0  0  0  0
M  END

$$$$
D0D6ZW
  -OEChem-03141904462D

 62 66  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0D7AM
  -OEChem-04152110582D

 42 43  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0D7CH
  -OEChem-03141904482D

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M  END

$$$$
D0D7TD
  -OEChem-10101305032D

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 55114  1  0  0  0  0
M  END

$$$$
D0D7UD
          09160801022D 1   1.00000     0.00000     0

 34 34  0     1  0            999 V2000
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 10 19  1  0     0  0
 11  8  2  0     0  0
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 14  2  1  0     0  0
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 33 23  1  0     0  0
 34 27  1  0     0  0
  6  3  1  0     0  0
M  END

$$$$
D0D7YW
  -OEChem-04152109532D

 35 35  0     1  0  0  0  0  0999 V2000
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 13 34  1  0  0  0  0
M  END

$$$$
D0D8EY
          06060700072D 1   1.00000     0.00000     0

 96 97  0     1  0            999 V2000
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 47  1  1  0     0  0
  1  2  1  0     0  0
 51 52  1  0     0  0
 51 53  2  0     0  0
 52 54  1  0     0  0
  1  3  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 19 21  1  1     0  0
 20 22  2  0     0  0
 21 23  1  0     0  0
  2  4  1  0     0  0
  2  5  1  1     0  0
  5  6  1  0     0  0
 82 96  1  0     0  0
  4 69  1  0     0  0
 72  7  1  0     0  0
 55 56  1  0     0  0
 55 57  2  0     0  0
 55 58  1  0     0  0
 56 59  1  0     0  0
 56 60  2  0     0  0
 57 61  1  0     0  0
 57 62  1  0     0  0
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 64 59  1  6     0  0
 62 65  2  0     0  0
 64 66  1  0     0  0
 64 67  1  0     0  0
 67 68  2  0     0  0
 60 61  1  0     0  0
 63 65  1  0     0  0
 10 33  1  0     0  0
 36 85  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
 25 27  1  0     0  0
 25 28  1  1     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  2  0     0  0
 69 70  1  0     0  0
 69 71  2  0     0  0
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 73 74  1  0     0  0
 74 75  1  0     0  0
 75 76  1  0     0  0
 76 77  1  0     0  0
 77 78  1  0     0  0
 77 79  2  0     0  0
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 80 81  1  0     0  0
 81 82  1  0     0  0
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 82 84  2  0     0  0
 66 24  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  8 10  1  0     0  0
  8 11  1  6     0  0
 11 12  1  0     0  0
 33 34  1  0     0  0
 33 35  2  0     0  0
 34 36  1  0     0  0
 34 37  1  1     0  0
 37 38  1  0     0  0
 85 86  1  0     0  0
 85 87  2  0     0  0
 86 88  1  6     0  0
 86 89  1  0     0  0
 88 90  1  0     0  0
 90 91  1  0     0  0
 91 92  1  0     0  0
 92 93  1  0     0  0
 93 94  1  0     0  0
 93 95  2  0     0  0
 38 39  1  0     0  0
M  PXA  54   -6.4414    0.1862    0.0000 H   NH2
M  STY  8   1 SUP   2 SUP   3 SUP   4 SUP   5 SUP   6 SUP   7 SUP   8 SUP
M  STY  4   9 SUP  10 SUP  11 SUP  12 SUP
M  SLB  8   1   1   2   2   3   3   4   4   5   5   6   6   7   7   8   8
M  SLB  4   9   9  10  11  11  12  12  13
M  SAL   1  6  18  19  20  21  22  23
M  SBL   1  2  10  18
M  SMT   1 Cys
M  SBV   1  10   -0.2000    0.0000
M  SBV   1  18  -12.2500   -0.7300
M  SCL   1 AA
M  SAP   1  2  18  67 Al  20  80 Br
M  SAL   2 11   7   8   9  10  11  12  13  14  15  16  17
M  SBL   2  2  35  51
M  SMT   2 Arg
M  SBV   2  35    0.2000    0.0000
M  SBV   2  51   -0.2000    0.0000
M  SCL   2 AA
M  SAP   2  2   7  72 Br  10  33 Al
M  SAL   3  9  24  25  26  27  28  29  30  31  32
M  SBL   3  2  17  76
M  SMT   3 Gln
M  SBV   3  76    0.2000    0.0000
M  SBV   3  17   -0.2100    0.0000
M  SCL   3 AA
M  SAP   3  2  24  66 Br  27  44 Al
M  SAL   4  5  80  81  82  83  84
M  SBL   4  2  18  33
M  SMT   4 Ala
M  SBV   4  18   12.2500    0.7300
M  SBV   4  33    0.1800    0.0200
M  SCL   4 AA
M  SAP   4  2  80  20 Al  82  96 Br
M  SAL   5  4  51  52  53  54
M  SBL   5  1  71
M  SMT   5 Gly
M  SBV   5  71    0.2000    0.0000
M  SCL   5 AA
M  SAP   5  2  51  89 Br  54   0 Al
M  SAL   6 11  33  34  35  36  37  38  39  40  41  42  43
M  SBL   6  2  51  52
M  SMT   6 Arg
M  SBV   6  51    0.2000    0.0000
M  SBV   6  52   -0.2000    0.0000
M  SCL   6 AA
M  SAP   6  2  33  10 Br  36  85 Al
M  SAL   7 11  69  70  71  72  73  74  75  76  77  78  79
M  SBL   7  2  34  35
M  SMT   7 Arg
M  SBV   7  34    0.2000   -0.0100
M  SBV   7  35   -0.2000    0.0000
M  SCL   7 AA
M  SAP   7  2  69   4 Br  72   7 Al
M  SAL   8  6   1   2   3   4   5   6
M  SBL   8  2  19  34
M  SMT   8 Ser
M  SBV   8  19    0.2000    0.0000
M  SBV   8  34   -0.2000    0.0100
M  SCL   8 AA
M  SAP   8  2   1  47 Br   4  69 Al
M  SAL   9 14  55  56  57  58  59  60  61  62  63  64  65  66  67  68
M  SBL   9  2  10  76
M  SMT   9 Trp
M  SBV   9  76   -0.2000    0.0000
M  SBV   9  10    0.2000    0.0000
M  SCL   9 AA
M  SAP   9  2  66  24 Al  67  18 Br
M  SAL  10 11  85  86  87  88  89  90  91  92  93  94  95
M  SBL  10  2  52  71
M  SMT  10 Arg
M  SBV  10  52    0.2000    0.0000
M  SBV  10  71   -0.2000    0.0000
M  SCL  10 AA
M  SAP  10  2  85  36 Br  89  51 Al
M  SAL  11  7  44  45  46  47  48  49  50
M  SBL  11  2  17  19
M  SMT  11 Val
M  SBV  11  17    0.2100    0.0000
M  SBV  11  19   -0.2000    0.0000
M  SCL  11 AA
M  SAP  11  2  44  27 Br  47   1 Al
M  SAL  12  1  96
M  SBL  12  1  33
M  SMT  12 OH
M  SBV  12  33   -0.1800   -0.0200
M  SCL  12 LGRP
M  END

$$$$
D0D8FN
  -OEChem-10111523272D

 36 37  0     1  0  0  0  0  0999 V2000
    2.0000   -2.3373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.4179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5443   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    1.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -1.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6486    1.5763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    1.6237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256    0.7482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    2.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0226    2.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6259    3.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8440    2.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  2  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
  5  9  1  0  0  0  0
  5 17  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 12  1  1  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 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  2  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 15  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 16  2  0  0  0  0
 17 18  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
M  END

$$$$
D0D8JB
  -OEChem-10191523072D

 86 91  0     0  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
   19.3205   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 N   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
   17.5885   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.7500    0.0000 N   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
    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
    4.5981   -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
    6.3301   -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
    2.8660   -3.7500    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
    7.1962   -2.2500    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
   18.4545   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    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
    8.9282   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.7500    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
   14.9904   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.2500    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
   13.2583   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.2500    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
   13.2583   -2.7500    0.0000 C   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
    3.5200   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.7500    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
    1.6900   -2.7869    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
    3.4860   -3.7500    0.0000 H   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
    8.0622   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9779   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3764   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9345    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3330    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3798    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7783    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9311   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5326   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7783    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3798    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3330    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9345    3.8326    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
   13.2583   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0D8KQ
  -OEChem-03141904532D

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M  END

$$$$
D0D8TE
  -OEChem-04152110462D

 52 53  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0D8UM
  -OEChem-03141904512D

 58 61  0     0  0  0  0  0  0999 V2000
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 34 56  1  0  0  0  0
M  END

$$$$
D0D8VU
  -OEChem-04152121562D

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M  END

$$$$
D0D9AH
  -OEChem-10121500462D

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 27 36  1  0  0  0  0
 29 37  1  0  0  0  0
M  END

$$$$
D0D9HA
  -OEChem-04152111212D

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 35 72  1  0  0  0  0
M  END

$$$$
D0D9IQ
  -OEChem-04152111342D

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 19 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D0D9LB
  -OEChem-10101305032D

 57 58  0     0  0  0  0  0  0999 V2000
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 26 53  1  0  0  0  0
 28 29  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D0D9LJ
  -OEChem-10101305022D

 68 69  0     1  0  0  0  0  0999 V2000
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 24 65  1  0  0  0  0
M  END

$$$$
D0D9NZ
  -OEChem-04152110062D

 48 51  0     1  0  0  0  0  0999 V2000
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    7.4854   -0.7006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688   -0.7747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3995    0.5696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542    1.5455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9280    2.1196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4514    1.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0528    1.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3862    0.2299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4588    2.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    1.1874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 42  1  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3 21  1  0  0  0  0
  3 48  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
  4 14  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  6  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  6  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  6  0  0  0
  8 12  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 12  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 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
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  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
 18 20  2  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
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END

$$$$
D0D9VE
  -OEChem-04152111262D

 42 42  0     0  0  0  0  0  0999 V2000
    0.0000    0.8419    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5301    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6316    7.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0335    6.9434    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5301    2.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961    1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    7.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675    6.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5335    7.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5335    6.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7656    6.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6641    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6641    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7702    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7702    2.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8641    1.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2622    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2981    7.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1685    7.1334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5301    3.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7773    0.2114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7773    3.5206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284    2.6989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5722    2.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7991    3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9522    3.4030    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 14  1  0  0  0  0
  3 13  1  0  0  0  0
  3 35  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
  6 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 36  1  0  0  0  0
  8 16  2  0  0  0  0
  9 13  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
 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 33  1  0  0  0  0
 13 34  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
 17 19  2  0  0  0  0
 17 37  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
 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  1   6   1
M  END

$$$$
D0DA5M
  -OEChem-03141904492D

 20 21  0     0  0  0  0  0  0999 V2000
    2.8660   -2.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.2421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.9852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6488    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
    3.7320   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    2.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758    3.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    1.9204    0.0000 H   0  0  0  0  0  0  0  0  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 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5 13  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

$$$$
D0DC6U
  -OEChem-10101305022D

 44 46  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
    5.4641    2.2500    0.0000 N   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
    9.7942    4.7500    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   -2.2500    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
    3.7320   -3.7500    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
    4.5981   -3.2500    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
    5.4641   -1.7500    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
    4.5981   -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
    5.4641    1.2500    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   -0.2500    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    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932    4.0600    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 15  1  0  0  0  0
  1 28  1  0  0  0  0
  2 15  2  0  0  0  0
  2 17  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 39  1  0  0  0  0
  4 17  2  0  0  0  0
  4 19  1  0  0  0  0
  5 25  3  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 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  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 26  1  0  0  0  0
 11 27  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 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 19  2  0  0  0  0
 16 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  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
 24 25  1  0  0  0  0
M  END

$$$$
D0DD4P
  -OEChem-03141904452D

 92 95  0     1  0  0  0  0  0999 V2000
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 54 55  1  0  0  0  0
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 55 87  1  0  0  0  0
 56 89  1  0  0  0  0
 56 90  1  0  0  0  0
 56 91  1  0  0  0  0
M  CHG  2  11  -1  15   1
M  END

$$$$
D0DF1R
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
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  2  8  1  0  0  0  0
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 10 12  2  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
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 13 14  2  0  0  0  0
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 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END

$$$$
D0DI6L
  -OEChem-03141904532D

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

$$$$
D0DI8J
  MDL     03130710022D 1   1.00000     0.00000     0

 61 65  0     1  0            999 V2000
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 15 16  1  0     0  0
  5 61  1  0     0  0
M  END

$$$$
D0DJ4A
  -OEChem-10191523002D

 72 75  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0DK5X
  -OEChem-04152111342D

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M  END

$$$$
D0DK8X
  -OEChem-10111523172D

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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 54  1  0  0  0  0
 30 31  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 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END

$$$$
D0DL3W
  -OEChem-04152111192D

 54 57  0     1  0  0  0  0  0999 V2000
   13.4559   -3.8801    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.9443    0.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559   -2.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    4.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559   -4.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4559   -3.8801    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.4559   -3.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5899   -1.3801    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.2751    0.9563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8578   -1.3801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    5.0856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3684    2.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7238    0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3739    2.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    1.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8578    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7238   -0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7533    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5899    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7861    2.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9671    3.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848    3.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559   -0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5899   -2.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559    0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726    3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903    3.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    4.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    5.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9700    2.8858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3251    3.3544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2140    2.0293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5899    1.2399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0383    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3316    4.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9928   -1.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9793   -2.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3778   -2.9627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9928    0.4299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4271    1.6343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7204    4.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8578   -2.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3209   -1.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9928   -5.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    5.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    4.4459    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  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 24  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 52  1  0  0  0  0
  8 17  1  0  0  0  0
  8 23  2  0  0  0  0
  8 24  1  0  0  0  0
  9 15  2  0  0  0  0
 10 17  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 29  1  0  0  0  0
 11 32  2  0  0  0  0
 12 14  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 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 18 36  1  0  0  0  0
 19 25  2  0  0  0  0
 19 37  1  0  0  0  0
 20 26  1  0  0  0  0
 20 38  1  0  0  0  0
 21 27  2  0  0  0  0
 21 39  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 22 28  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
 24 42  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
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  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
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  CHG  2   6  -1   8   1
M  END

$$$$
D0DM6I
  -OEChem-04152110442D

 81 86  0     1  0  0  0  0  0999 V2000
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   10.2149   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2149   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6780   -1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9049   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6291    4.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5249   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5249    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3349   -0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5249   -4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7519   -3.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 53  1  0  0  0  0
  2 17  2  0  0  0  0
  3 22  1  0  0  0  0
  3 38  1  0  0  0  0
  4 36  1  0  0  0  0
  4 42  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
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 11 48  1  0  0  0  0
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 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
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 14 20  1  0  0  0  0
 15 19  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 54  1  0  0  0  0
 19 26  1  0  0  0  0
 19 55  1  0  0  0  0
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 26 34  2  0  0  0  0
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 27 33  1  0  0  0  0
 27 62  1  0  0  0  0
 28 34  1  0  0  0  0
 28 63  1  0  0  0  0
 29 35  1  0  0  0  0
 29 64  1  0  0  0  0
 30 35  2  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 36  1  0  0  0  0
 32 37  2  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 39  2  0  0  0  0
 37 40  1  0  0  0  0
 37 72  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
 38 75  1  0  0  0  0
 39 41  1  0  0  0  0
 39 76  1  0  0  0  0
 40 41  2  0  0  0  0
 40 77  1  0  0  0  0
 41 78  1  0  0  0  0
 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
 42 81  1  0  0  0  0
M  END

$$$$
D0DP0J
  -OEChem-04152111302D

 84 89  0     1  0  0  0  0  0999 V2000
   14.6279    0.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -0.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0DP3V
  -OEChem-10101305022D

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M  END

$$$$
D0DP5I
  -OEChem-03141904542D

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M  END

$$$$
D0DQ2D
  -OEChem-03141904522D

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 33 35  2  0  0  0  0
 33 57  1  0  0  0  0
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 39 60  1  0  0  0  0
 40 61  1  0  0  0  0
 41 62  1  0  0  0  0
 41 63  1  0  0  0  0
 41 64  1  0  0  0  0
M  END

$$$$
D0DT1R
  -OEChem-10101305032D

 22 22  0     0  0  0  0  0  0999 V2000
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  1 13  2  0  0  0  0
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  2 12  2  0  0  0  0
  3  7  1  0  0  0  0
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  5 20  1  0  0  0  0
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  7  8  2  0  0  0  0
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  8 11  1  0  0  0  0
  9 10  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 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$
D0DX4J
  -OEChem-04152111272D

 51 54  0     1  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
M  END

$$$$
D0DY7W
          01210517102D 1   1.00000     0.00000     0

 15 16  0     0  0            999 V2000
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  2  1  1  0     0  0
  3  1  1  0     0  0
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  5  2  1  0     0  0
  6  3  1  0     0  0
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 10  6  1  0     0  0
 11  8  2  0     0  0
 12  8  1  0     0  0
 13 12  2  0     0  0
 14 11  1  0     0  0
 15 13  1  0     0  0
  6  5  1  0     0  0
 15 14  2  0     0  0
M  END

$$$$
D0E0AS
  -OEChem-04152110562D

 57 58  0     1  0  0  0  0  0999 V2000
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  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  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 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
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  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 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  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
 19 45  1  0  0  0  0
 20 24  3  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
 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
 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
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
M  END

$$$$
D0E0HE
  -OEChem-02061504272D

 36 37  0     0  0  0  0  0  0999 V2000
    2.2051   -2.2614    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8828    0.3916    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.7640   -2.5088    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1688    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2051   -0.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560   -0.7218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0648   -0.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008    0.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7051   -4.3954    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6537    4.3954    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4372   -4.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812    3.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7051   -1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7051   -2.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4372   -2.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    2.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5712   -2.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458    0.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1682   -2.7054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    2.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9741   -2.7054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  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 15  2  0  0  0  0
  6 14  2  0  0  0  0
  7 17  2  0  0  0  0
  8 16  2  0  0  0  0
  9 19  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 18  2  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 32  1  0  0  0  0
 14 23  1  0  0  0  0
 15 22  1  0  0  0  0
 16 25  1  0  0  0  0
 17 24  1  0  0  0  0
 18 31  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  2  0  0  0  0
 26 30  2  0  0  0  0
 26 34  1  0  0  0  0
 27 31  2  0  0  0  0
 27 33  1  0  0  0  0
 28 30  1  0  0  0  0
 28 36  1  0  0  0  0
 29 31  1  0  0  0  0
 29 35  1  0  0  0  0
M  CHG  8   1  -1   2  -1   3  -1   4  -1   9  -1  10  -1  14   1  15   1
M  CHG  4  16   1  17   1  18   1  19   1
M  END

$$$$
D0E0JO
  -OEChem-03141904512D

 44 46  0     0  0  0  0  0  0999 V2000
    5.6783   -1.4162    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.1114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674    1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619   -2.3435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3497   -0.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3007   -0.9775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6783    0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -2.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9889    1.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3007   -1.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1581   -0.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8023   -2.3419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5 19  1  0  0  0  0
  5 21  1  0  0  0  0
  5 39  1  0  0  0  0
  6 20  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 43  1  0  0  0  0
  8 24  2  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 13  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  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 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  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 19  2  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 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D0E0NM
  -OEChem-10101305022D

 69 73  0     0  0  0  0  0  0999 V2000
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   10.0455   -4.8602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9965   -4.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8049   -3.9616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 25  2  0  0  0  0
  3 32  1  0  0  0  0
  3 35  1  0  0  0  0
  4 40  2  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 13  2  0  0  0  0
  7 18  1  0  0  0  0
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  8 25  1  0  0  0  0
  8 28  1  0  0  0  0
  8 57  1  0  0  0  0
  9 23  1  0  0  0  0
  9 29  2  0  0  0  0
 10 38  2  0  0  0  0
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 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
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 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
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 15 46  1  0  0  0  0
 15 50  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  2  0  0  0  0
 17 51  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 53  1  0  0  0  0
 21 24  2  0  0  0  0
 21 54  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
 24 55  1  0  0  0  0
 26 27  2  0  0  0  0
 26 56  1  0  0  0  0
 27 29  1  0  0  0  0
 27 58  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 59  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 60  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 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  1  0  0  0  0
 39 65  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

$$$$
D0E0WU
          12030900082D 1   1.00000     0.00000     0

 30 30  0     0  0            999 V2000
    0.2444   -3.1916    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2432   -3.9023    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8581   -4.2569    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4703   -3.9019    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4675   -3.1880    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8563   -2.8372    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0797   -2.8318    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6943   -3.1840    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6920   -3.8927    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3059   -4.2448    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9190   -3.8885    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9144   -3.1766    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3000   -2.8277    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0774   -2.1235    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5340   -4.2399    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1458   -3.8829    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7609   -4.2342    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3727   -3.8772    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9878   -4.2286    0.0000 N   0  0  0  0  0  0           0  0  0
    6.3694   -3.1689    0.0000 O   0  0  0  0  0  0           0  0  0
    7.5995   -3.8716    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2146   -4.2229    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8264   -3.8659    0.0000 O   0  5  0  0  0  0           0  0  0
    8.2179   -4.9312    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.3704   -4.2562    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.9836   -3.9016    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.5973   -4.2555    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.2105   -3.9010    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5976   -4.9638    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7292   -3.8750    0.0000 Na  0  3  0  0  0  0           0  0  0
  7 14  2  0     0  0
  2  3  1  0     0  0
 11 15  1  0     0  0
  5  7  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  7  8  1  0     0  0
 17 18  1  0     0  0
  3  4  2  0     0  0
 18 19  1  0     0  0
  8  9  2  0     0  0
 18 20  2  0     0  0
  1  2  2  0     0  0
 19 21  1  0     0  0
  9 10  1  0     0  0
 21 22  1  0     0  0
  4  5  1  0     0  0
 22 23  1  0     0  0
 10 11  2  0     0  0
 22 24  2  0     0  0
  2 25  1  0     0  0
 11 12  1  0     0  0
 25 26  2  0     0  0
  5  6  2  0     0  0
 26 27  1  0     0  0
 12 13  2  0     0  0
 27 28  1  0     0  0
 13  8  1  0     0  0
 27 29  1  0     0  0
  6  1  1  0     0  0
M  CHG  2  23  -1  30   1
M  END

$$$$
D0E0YW
  -OEChem-03141904462D

 19 19  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712    1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    0.4197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032   -1.1191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7006   -0.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4461    0.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6664    0.3283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2858   -1.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1614   -1.3031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1155   -0.4275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342    0.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546    0.5227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  7 11  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
  9 12  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
M  END

$$$$
D0E1HF
          01280517572D 1   1.00000     0.00000     0

 32 34  0     0  0            999 V2000
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    3.0417   -2.6167    0.0000 N   0  0  0  0  0  0           0  0  0
    1.5417   -2.6292    0.0000 N   0  0  0  0  0  0           0  0  0
    2.2375   -2.6417    0.0000 Ru  0  5  0  0  0  0           0  0  0
    8.4625   -3.1042    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1292   -3.2042    0.0000 N   0  0  0  0  0  0           0  0  0
    3.4542   -3.1917    0.0000 N   0  0  0  0  0  0           0  0  0
    4.1167   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4542   -2.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7917   -2.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7875   -2.8792    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4542   -2.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1167   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4500   -2.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1250   -2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4667   -1.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9500   -3.2792    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.5750   -3.2917    0.0000 Cl  0  0  0  0  0  0           0  0  0
    2.5875   -2.0417    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.8917   -2.0167    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.1625   -1.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7292   -1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1750   -1.8167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1583   -3.3417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1750   -3.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7375   -3.3292    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7750   -2.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3542   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5542   -2.1792    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7750   -2.9917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5542   -2.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3542   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7  2  1  0     0  0
  8 14  1  0     0  0
  9 15  1  0     0  0
 10 16  1  0     0  0
 11  5  1  0     0  0
 12  6  1  0     0  0
 13  7  1  0     0  0
 14  2  2  0     0  0
 15  3  2  0     0  0
 16  1  2  0     0  0
 17  4  1  0     0  0
 18  4  1  0     0  0
 19  4  1  0     0  0
 20  4  1  0     0  0
 21  9  1  0     0  0
 22  8  2  0     0  0
 23 10  1  0     0  0
 24 12  1  0     0  0
 25 11  1  0     0  0
 26 13  2  0     0  0
 27 21  2  0     0  0
 28 22  1  0     0  0
 29 23  2  0     0  0
 30 24  2  0     0  0
 31 25  2  0     0  0
 32 26  1  0     0  0
 11 10  2  0     0  0
 31 29  1  0     0  0
 13  8  1  0     0  0
 28 32  2  0     0  0
 12  9  2  0     0  0
 30 27  1  0     0  0
M  CHG  1   4  -1
M  END

$$$$
D0E1VV
  -OEChem-02041520442D

 71 75  0     1  0  0  0  0  0999 V2000
    8.8823    9.5576    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9265    2.4087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9869    1.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    3.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0468    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0324    4.9376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0964    6.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4983   11.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323   10.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3643   10.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 38  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
M  END

$$$$
D0E1WH
  -OEChem-08301509482D

 74 79  0     1  0  0  0  0  0999 V2000
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    5.4791    1.7319    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6544   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9518    2.4945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    3.2454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6544   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6544   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7884   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1544   -4.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0563    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4736    1.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    2.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8913    2.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9754    2.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7620    0.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6310    3.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0763    2.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0763    4.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6310    4.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2325    4.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5529    5.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7559    5.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0573   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9223    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2533   -3.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0573   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2620   -5.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7370   -4.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5718   -4.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467   -5.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7214    3.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
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  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 10 38  1  1  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 26  2  0  0  0  0
 22 53  1  0  0  0  0
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 23 28  1  0  0  0  0
 23 55  1  0  0  0  0
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 25 56  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 58  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 62  1  0  0  0  0
 32 34  1  0  0  0  0
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 32 64  1  0  0  0  0
 33 35  1  0  0  0  0
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 34 35  1  0  0  0  0
 34 69  1  0  0  0  0
 34 70  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
 36 37  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
M  END

$$$$
D0E2IN
  SciTegic12111210002D

 36 40  0  0  0  0            999 V2000
  -10.2830  -22.9232    0.0000 C   0  0
  -10.9975  -23.3357    0.0000 C   0  0
  -10.9975  -24.1607    0.0000 C   0  0
  -10.2830  -24.5732    0.0000 C   0  0
   -9.5685  -24.1607    0.0000 C   0  0
   -9.5685  -23.3357    0.0000 C   0  0
  -11.7120  -24.5732    0.0000 C   0  0
  -12.4265  -24.9857    0.0000 N   0  0
   -8.8541  -22.9232    0.0000 C   0  0
   -8.1396  -23.3357    0.0000 N   0  0
   -8.8541  -22.0982    0.0000 O   0  0
   -7.4251  -22.9232    0.0000 C   0  0
   -8.1396  -24.1607    0.0000 C   0  0
   -6.7107  -23.3357    0.0000 C   0  0  2  0  0  0
   -5.9962  -22.9232    0.0000 N   0  0
   -6.7106  -24.1607    0.0000 C   0  0
   -5.2817  -23.3357    0.0000 C   0  0
   -4.5672  -22.9232    0.0000 C   0  0
   -4.5672  -22.0982    0.0000 N   0  0
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   -5.9962  -22.0982    0.0000 C   0  0
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   -2.4238  -21.6856    0.0000 C   0  0
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   -3.8527  -20.8606    0.0000 C   0  0
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  1  2  1  0
  1  6  2  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  3  7  1  0
  7  8  3  0
  6  9  1  0
  9 10  1  0
  9 11  2  0
 10 12  1  0
 10 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  6
 15 17  1  0
 21 15  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
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 22 23  1  0
 27 22  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 23 28  1  0
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 31 24  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 13 32  1  0
 13 36  2  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
M  END

$$$$
D0E2JN
  -OEChem-04152109382D

 43 45  0     0  0  0  0  0  0999 V2000
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   10.6648   -0.7498    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
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 13 14  2  0  0  0  0
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 15 31  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
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 17 37  1  0  0  0  0
 17 38  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 21  1  0  0  0  0
M  END

$$$$
D0E2LA
  -OEChem-04152108592D

 44 47  0     0  0  0  0  0  0999 V2000
    8.6498   -1.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.9525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6663    3.4284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2775   -2.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   -2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6713   -1.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8003    1.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0693    4.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 19  1  0  0  0  0
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 17 32  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
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 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D0E2WF
  -OEChem-10101305032D

 31 32  0     0  0  0  0  0  0999 V2000
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    3.4030    1.5628    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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 13 15  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END

$$$$
D0E3EY
  -OEChem-04152109192D

 82 88  0     1  0  0  0  0  0999 V2000
    6.0010   -1.0102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 36  1  0  0  0  0
 31 38  1  0  0  0  0
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 38 39  2  0  0  0  0
 38 75  1  0  0  0  0
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 40 43  1  0  0  0  0
 40 44  2  0  0  0  0
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 45 77  1  0  0  0  0
 46 78  1  0  0  0  0
 47 80  1  0  0  0  0
 47 81  1  0  0  0  0
 47 82  1  0  0  0  0
M  END

$$$$
D0E3LP
  -OEChem-10191522582D

 30 32  0     1  0  0  0  0  0999 V2000
    2.0000   -2.1353    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3165    2.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3991   -0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717   -0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3717   -0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942    1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1546    2.1353    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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  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  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 18  1  0  0  0  0
  6  8  2  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  9  1  0  0  0  0
  8 11  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 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  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
 17 28  1  0  0  0  0
M  END

$$$$
D0E3MA
  -OEChem-04152122252D

  9  8  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
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    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
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    5.1350   -0.3700    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
    2.0000    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  9  1  0  0  0  0
  2  4  2  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
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END

$$$$
D0E4GG
  -OEChem-10101305022D

 40 41  0     1  0  0  0  0  0999 V2000
    8.0622    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    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
    6.3301    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  2  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
    7.1962   -2.5000    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
    6.3301   -3.0000    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
    4.5981   -1.0000    0.0000 C   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   -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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 10 11  1  0  0  0  0
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 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 28  1  0  0  0  0
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 13 14  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
 16 17  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
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 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
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D0E4IB
  -OEChem-03141904492D

 26 28  0     0  0  0  0  0  0999 V2000
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  8 26  1  0  0  0  0
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 11 12  2  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END

$$$$
D0E4VQ
  -OEChem-10121501572D

 77 80  0     1  0  0  0  0  0999 V2000
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 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
M  END

$$$$
D0E5DB
          11130700052D 1   1.00000     0.00000     0

 17 16  0     0  0            999 V2000
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  2  1  1  0     0  0
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 10  3  2  0     0  0
 11  5  2  0     0  0
 12  5  1  0     0  0
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 14  3  1  0     0  0
 15 16  1  0     0  0
 16  6  1  0     0  0
 17 12  1  0     0  0
M  END

$$$$
D0E5FA
          07220800192D 1   1.00000     0.00000     0

 16 14  0     0  0            999 V2000
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 12 15  1  0     0  0
M  CHG  3   3  -1  15  -1  16   2
M  ISO  1  16  62
M  END

$$$$
D0E5GI
  -OEChem-04152111162D

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 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
M  END

$$$$
D0E5JC
  -OEChem-04152109402D

 38 40  0     0  0  0  0  0  0999 V2000
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 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D0E5NY
  -OEChem-10111523162D

 58 60  0     1  0  0  0  0  0999 V2000
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 21 53  1  0  0  0  0
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 26 28  2  0  0  0  0
 26 57  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
M  END

$$$$
D0E5XA
  -OEChem-04152111352D

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

$$$$
D0E6AG
  -OEChem-03141904492D

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M  END

$$$$
D0E6AH
  -OEChem-04152109202D

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M  END

$$$$
D0E6ME
  -OEChem-04152111272D

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  5 16  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  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 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 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

$$$$
D0E6SB
  -OEChem-02061504162D

 20 18  0     0  0  0  0  0  0999 V2000
    6.3301    0.1830    0.0000 Na  0  3  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
    3.7320   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2320   -1.1830    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
    2.0000   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  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  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
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  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 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  CHG  2   1   1   2  -1
M  END

$$$$
D0E6SX
  -OEChem-04152111242D

 53 55  0     1  0  0  0  0  0999 V2000
    4.0908   -1.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209   -1.9050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0190   -4.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2869   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4219   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
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  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
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 18  7  1  1  0  0  0
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 19  8  1  1  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
 19 23  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 44  1  0  0  0  0
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 23 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
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 26 27  2  0  0  0  0
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 27 29  1  0  0  0  0
 28 30  2  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 53  1  0  0  0  0
M  END

$$$$
D0E6UZ
  -OEChem-10101305032D

 60 64  0     0  0  0  0  0  0999 V2000
    8.1424    0.5547    0.0000 S   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
    2.0000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2260   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2260   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 17  1  0  0  0  0
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 10 27  2  0  0  0  0
 10 32  1  0  0  0  0
 11 27  1  0  0  0  0
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 13 35  1  0  0  0  0
 13 59  1  0  0  0  0
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 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
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 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 45  1  0  0  0  0
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 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 48  1  0  0  0  0
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 26 50  1  0  0  0  0
 28 30  2  0  0  0  0
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 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 32 34  2  0  0  0  0
 32 54  1  0  0  0  0
 33 34  1  0  0  0  0
 33 55  1  0  0  0  0
 34 35  1  0  0  0  0
 36 56  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  1  0  0  0  0
M  END

$$$$
D0E6VR
  -OEChem-04152110582D

 19 19  0     1  0  0  0  0  0999 V2000
    2.5369   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0E7AS
          06111002172D 1   1.00000     0.00000     0

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 17  5  1  0     0  0
 36 31  2  0     0  0
 38 33  2  0     0  0
M  END

$$$$
D0E7FM
  -OEChem-04152111222D

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M  END

$$$$
D0E8HA
  -OEChem-10101305022D

 53 54  0     0  0  0  0  0  0999 V2000
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 19 21  2  0  0  0  0
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 20 22  2  0  0  0  0
 20 46  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 26  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
M  END

$$$$
D0E8IQ
  -OEChem-03141904522D

 25 27  0     0  0  0  0  0  0999 V2000
    4.5274    1.5068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
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  4  8  2  0  0  0  0
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  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 14  1  0  0  0  0
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 10 13  1  0  0  0  0
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 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
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 12 23  1  0  0  0  0
 13 25  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D0E8IZ
          06161100062D 1   1.00000     0.00000     0

 27 29  0     1  0            999 V2000
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  2  1  1  0     0  0
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 10  7  1  0     0  0
 11  9  1  0     0  0
 12 13  2  0     0  0
 13 10  1  0     0  0
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 15 21  2  0     0  0
 16  7  2  0     0  0
 17  8  2  0     0  0
 18 11  2  0     0  0
 19 10  2  0     0  0
 20 14  2  0     0  0
 21 19  1  0     0  0
  4 22  1  1     0  0
 23 12  1  0     0  0
 24 15  1  0     0  0
 25  5  1  0     0  0
 26  5  1  0     0  0
 27 14  1  0     0  0
  8  6  1  0     0  0
 18 17  1  0     0  0
 15 12  1  0     0  0
M  END

$$$$
D0E8NP
  -OEChem-10121501352D

114119  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0E8PR
  -OEChem-04152111282D

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M  END

$$$$
D0E8ZY
          01220517312D 1   1.00000     0.00000     0

 22 25  0     0  0            999 V2000
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 22 20  2  0     0  0
M  END

$$$$
D0E9BF
          12091000372D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
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M  END

$$$$
D0E9CC
  -OEChem-10101305032D

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    6.0010   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 26  1  0  0  0  0
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3 24  1  0  0  0  0
  3 28  1  0  0  0  0
  4 25  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 43  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 32  1  0  0  0  0
 11  8  1  1  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  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 20  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  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
 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
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  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
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$
D0E9HQ
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
    4.0836    0.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6507    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    6.7778    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1751    2.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3769    2.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2899    1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8935    1.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8764   -0.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2988   -1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8958   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8910   -2.1787    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  4  1  0  0  0  0
  3  4  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  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
  7  8  1  0  0  0  0
  7 19  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 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  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
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
M  CHG  2   2  -1   4   1
M  END

$$$$
D0E9RP
  -OEChem-04152111152D

 57 60  0     1  0  0  0  0  0999 V2000
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    3.7320    1.7715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6984   -1.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5783   -2.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0461   -2.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    0.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1370   -4.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9442   -3.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8382   -1.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8462   -2.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7142   -3.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0000    2.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6947   -3.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7251   -1.8252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7147   -2.5965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0986   -3.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.1638    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
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  2 28  1  0  0  0  0
  3 26  2  0  0  0  0
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  6 29  2  0  0  0  0
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  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
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 30  9  1  6  0  0  0
  9 55  1  0  0  0  0
  9 56  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  1  0  0  0
 11 32  1  0  0  0  0
 12 13  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
 14 21  1  0  0  0  0
 15 22  2  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 20  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 20  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 25  2  0  0  0  0
 21 26  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
 23 48  1  0  0  0  0
 24 27  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
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D0E9SZ
  -OEChem-10101305032D

 97100  0     1  0  0  0  0  0999 V2000
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   12.9292   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3933   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0E9UH
  -OEChem-04152108452D

 34 37  0     1  0  0  0  0  0999 V2000
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 15  6  1  1  0  0  0
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 16  8  1  6  0  0  0
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M  END

$$$$
D0ED6O
  -OEChem-03141904512D

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M  END

$$$$
D0EJ3B
  -OEChem-10121504082D

 58 63  0     0  0  0  0  0  0999 V2000
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    7.1962    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -4.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404   -5.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    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
    4.5981    5.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.6739    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
    6.3301    5.1739    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
    2.8660    2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810   -2.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    0.3285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5295   -3.7223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300   -2.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300   -0.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7926   -5.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3388   -5.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4760   -6.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3420   -6.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    5.4839    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
    3.4030    0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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 13  1  0  0  0  0
  3 17  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6 30  1  0  0  0  0
  6 35  2  0  0  0  0
  7 31  2  0  0  0  0
  7 37  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  2  0  0  0  0
  9 37  1  0  0  0  0
  9 57  1  0  0  0  0
  9 58  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
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 38  1  0  0  0  0
 16 20  1  0  0  0  0
 16 39  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
 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 24  2  0  0  0  0
 21 28  1  0  0  0  0
 22 26  1  0  0  0  0
 22 44  1  0  0  0  0
 23 27  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  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
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 32 52  1  0  0  0  0
 33 35  1  0  0  0  0
 33 53  1  0  0  0  0
 34 36  2  0  0  0  0
 34 54  1  0  0  0  0
 35 55  1  0  0  0  0
 36 56  1  0  0  0  0
M  END

$$$$
D0EJ7U
  Marvin  10201522222D          

 23 26  0  0  0  0            999 V2000
   -1.5493   -0.9303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098    0.1092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098    0.9342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6043    0.5217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0892    1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8739    0.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8739    0.1092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0892   -0.1457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1577   -0.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714   -1.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389   -1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4925   -1.3455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5788   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3325   -0.1895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9999   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7536   -0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8398    0.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    0.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4187    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  3 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   4
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END

$$$$
D0EK1C
  -OEChem-08301509492D

 47 46  0     0  0  0  0  0  0999 V2000
    8.2700    3.6945    0.0000 Cl  0  5  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
    4.0010    5.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210    6.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    5.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    5.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    7.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    7.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    7.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    7.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810    6.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010    5.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4871    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    3.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    2.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    2.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    3.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  2  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
  3 21  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 38  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  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 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  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 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  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 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 39  1  0  0  0  0
 17 20  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
 20 47  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

$$$$
D0EM4S
  -OEChem-10101305022D

 52 55  0     0  0  0  0  0  0999 V2000
   14.4939   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4939   -2.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4939   -0.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    0.4877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103   -1.1217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9939   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4939   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9939   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9939   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4939   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0EO2C
  -OEChem-04152111362D

 70 74  0     1  0  0  0  0  0999 V2000
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 37 70  1  0  0  0  0
M  END

$$$$
D0EQ6V
  -OEChem-04152122282D

 10  6  0     0  0  0  0  0  0999 V2000
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  4 10  1  0  0  0  0
M  END

$$$$
D0EQ9T
  -OEChem-08301509482D

 51 54  0     1  0  0  0  0  0999 V2000
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 26 51  1  0  0  0  0
M  END

$$$$
D0ER8I
  -OEChem-08301509472D

 69 73  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0ER9I
  -OEChem-04152111252D

 53 57  0     1  0  0  0  0  0999 V2000
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 29 53  1  0  0  0  0
M  END

$$$$
D0ES9U
  -OEChem-03141904532D

 64 68  0     1  0  0  0  0  0999 V2000
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 25 36  1  0  0  0  0
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 27 31  2  0  0  0  0
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 28 35  2  0  0  0  0
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 31 58  1  0  0  0  0
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 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
 35 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
M  END

$$$$
D0ET2S
          07180700062D 1   1.00000     0.00000     0

 18 20  0     0  0            999 V2000
    0.2069   -0.0414    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5034   -0.4552    0.0000 C   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
  2  6  2  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
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  4 10  1  0     0  0
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 10 15  1  0     0  0
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 15 17  1  0     0  0
 15 18  1  0     0  0
  7 11  2  0     0  0
  8  9  2  0     0  0
 13 16  2  0     0  0
M  END

$$$$
D0EV5O
  -OEChem-03141904452D

 52 55  0     0  0  0  0  0  0999 V2000
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    8.4833    2.2091    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END

$$$$
D0EY0A
  Marvin  10201522182D          

 27 29  0  0  1  0            999 V2000
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 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 17 25  4  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END

$$$$
D0F0FZ
  -OEChem-04152122302D

 42 44  0     0  0  0  0  0  0999 V2000
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 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D0F0JJ
  -OEChem-10121501292D

 57 60  0     1  0  0  0  0  0999 V2000
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 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
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 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 31  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 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
M  END

$$$$
D0F0UT
  -OEChem-10101305022D

212218  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0F0VW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.327   1.649   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.913   0.935   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.088   0.936   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.677   1.651   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.090   2.365   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.915   2.364   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.535   0.324   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.782   0.661   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.870   1.481   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.621  -0.496   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.953  -0.981   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.199  -0.644   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.114   0.177   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.469  -1.128   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.469  -1.953   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.183  -2.365   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.246  -2.365   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.898  -1.953   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.612  -2.365   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.327  -1.953   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.327  -1.128   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.612  -0.716   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.898  -1.128   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    4                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0F1CE
  -OEChem-04152122312D

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

$$$$
D0F1JD
  -OEChem-03141904532D

 49 51  0     0  0  0  0  0  0999 V2000
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  1 24  1  0  0  0  0
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 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

$$$$
D0F1UZ
  -OEChem-10101305022D

 45 47  0     0  0  0  0  0  0999 V2000
   10.4097    4.3827    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6447    0.3538    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4097    4.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 45  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END

$$$$
D0F1WX
  -OEChem-10101305032D

 80 83  0     1  0  0  0  0  0999 V2000
   11.0622    2.2010    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 42 44  1  0  0  0  0
 43 80  1  0  0  0  0
M  END

$$$$
D0F2JS
  -OEChem-10101305022D

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M  END

$$$$
D0F2JY
          07271001312D 1   1.00000     0.00000     0

 27 28  0     1  0            999 V2000
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 13 14  1  0     0  0
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 16 17  1  0     0  0
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 19 20  1  0     0  0
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 20 21  1  0     0  0
 11 22  1  0     0  0
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 11  9  1  1     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24  1  1  0     0  0
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 24 25  1  6     0  0
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 23 26  1  1     0  0
  5  6  1  0     0  0
 26 27  1  0     0  0
 12 13  1  0     0  0
M  END

$$$$
D0F2KX
          02241100382D 1   1.00000     0.00000     0

 52 55  0     0  0            999 V2000
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 49 52  1  0     0  0
 24 25  1  0     0  0
M  END

$$$$
D0F2ML
  -OEChem-04152110472D

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    2.8660    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8512    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
    2.0000   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    1.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    0.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2419    2.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    1.4204    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
  1 26  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  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 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 13  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 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  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
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  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
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D0F2PD
  -OEChem-10121501532D

 41 42  0     1  0  0  0  0  0999 V2000
    5.4641   -2.0000    0.0000 Cl  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
    5.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    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
    8.0622   -3.5000    0.0000 N   0  3  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
    2.8660    2.5000    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
    2.0000    3.0000    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
    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  2  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   -1.5000    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
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5000    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
    8.9282   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.8923    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
    4.8101    3.0826    0.0000 H   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
    6.0747    0.8923    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
    3.7320    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
 14  2  1  6  0  0  0
  2 37  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  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 13  1  0  0  0  0
  6 16  2  0  0  0  0
  7 18  1  0  0  0  0
  7 21  2  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 12  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 14  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
 14 34  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 38  1  0  0  0  0
 19 20  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
 21 41  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D0F3HC
  -OEChem-10101305022D

 69 69  0     1  0  0  0  0  0999 V2000
    8.3413    7.1637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8497    5.7791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2149    4.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0844    7.8328    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.0104    6.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721    7.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    6.1663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688    3.2319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111   14.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450   15.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6356    0.9666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    6.4946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8040    4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3177    3.5409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497    4.2403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   14.7169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470   10.2169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    4.5190    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5995    6.5469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5472    5.5483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5458    5.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304    7.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    5.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1098    4.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588    4.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   12.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   13.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   11.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   14.2169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4767    2.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470   11.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8497    5.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5407    4.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450   14.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4548    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4985    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6846    1.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8664    7.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7541    4.9638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    7.7049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5155    7.7508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4696    6.8752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    4.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010   13.2995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1024   12.6092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7911   12.6342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1896   13.3245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   11.1342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3236   11.8245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   13.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6349   11.7995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2364   11.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2142    6.2807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5837    1.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    2.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259    3.0681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3696    2.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8921    1.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    1.4394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1761   14.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   15.3369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    9.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3839    9.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3981    5.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7812    3.9294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8480   14.5269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0704    0.0000    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 13  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 22  2  0  0  0  0
  7 24  2  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  0  0  0  0
  9 35  1  0  0  0  0
  9 68  1  0  0  0  0
 10 35  2  0  0  0  0
 11 38  1  0  0  0  0
 11 69  1  0  0  0  0
 12 38  2  0  0  0  0
 13 20  1  0  0  0  0
 13 22  1  0  0  0  0
 21 14  1  1  0  0  0
 14 24  1  0  0  0  0
 14 44  1  0  0  0  0
 15 25  2  0  0  0  0
 16 26  1  0  0  0  0
 16 34  2  0  0  0  0
 30 17  1  6  0  0  0
 17 61  1  0  0  0  0
 17 62  1  0  0  0  0
 18 32  1  0  0  0  0
 18 63  1  0  0  0  0
 18 64  1  0  0  0  0
 19 34  1  0  0  0  0
 19 65  1  0  0  0  0
 19 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  6  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 33  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 45  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
 28 48  1  0  0  0  0
 29 32  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 35  1  0  0  0  0
 30 51  1  0  0  0  0
 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
 36 55  1  0  0  0  0
 36 56  1  0  0  0  0
 36 57  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  CHG  2   4  -1  19   1
M  END

$$$$
D0F3KC
  -OEChem-10101305032D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 In  0  0  0  0  0 15  0  0  0  0  0  0
M  ISO  1   1 111
M  END

$$$$
D0F3NF
  -OEChem-03141904462D

 60 64  0     0  0  0  0  0  0999 V2000
    5.2531   -6.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0F3NH
          07061100072D 1   1.00000     0.00000     0

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M  END

$$$$
D0F3RQ
  -OEChem-04152111272D

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 29 60  1  0  0  0  0
 31 32  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 61  1  0  0  0  0
 34 36  2  0  0  0  0
 34 62  1  0  0  0  0
 35 37  2  0  0  0  0
 35 63  1  0  0  0  0
 36 37  1  0  0  0  0
 36 64  1  0  0  0  0
M  END

$$$$
D0F3WG
  -OEChem-04152110362D

 36 34  0     0  0  0  0  0  0999 V2000
    6.3301    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.5622   -2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622   -0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 N   0  3  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
    2.3660   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.3660    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    0.5000    0.0000 C   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
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0560   -0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8291    1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  2  0  0  0  0
  2 22  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  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 24  1  0  0  0  0
 14 25  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 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 23 36  1  0  0  0  0
M  CHG  6   3   1   4   1   5  -1   6  -1   9  -1  12   1
M  END

$$$$
D0F4GF
  -OEChem-04152111162D

 50 51  0     1  0  0  0  0  0999 V2000
   14.6244    0.9510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    2.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6244    2.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1830    0.0000 N   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
    3.7320   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1830    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
    4.5981    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1830    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
    7.1962   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.6461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    0.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    0.8420    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 19  2  0  0  0  0
  5 24  1  0  0  0  0
  5 26  1  0  0  0  0
 10  6  1  1  0  0  0
  6 19  1  0  0  0  0
  6 34  1  0  0  0  0
  7 20  2  0  0  0  0
  7 25  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
  8 28  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 30  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 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
 20 22  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
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 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  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
 26 50  1  0  0  0  0
M  END

$$$$
D0F4JK
          02120900072D 1   1.00000     0.00000     0

 33 35  0     1  0            999 V2000
   10.7727    1.8126    0.0000 C   0  0  0  0  0  0           0  0  0
   10.8650    1.3964    0.0000 C   0  0  0  0  0  0           0  0  0
   10.5932    1.0664    0.0000 C   0  0  0  0  0  0           0  0  0
   10.3900    2.0018    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1682    1.0675    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0045    1.8201    0.0000 C   0  0  3  0  0  0           0  0  0
    9.9077    1.4048    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9444    2.2428    0.0000 O   0  0  0  0  0  0           0  0  0
    7.7986    1.8125    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7974    1.3852    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1664    1.1723    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5328    1.3856    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5300    1.8162    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1646    2.0253    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8964    2.0265    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2693    1.8160    0.0000 N   0  0  0  0  0  0           0  0  0
    8.8983    2.4515    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4310    2.0251    0.0000 N   0  0  3  0  0  0           0  0  0
    7.4303    2.4510    0.0000 N   0  0  0  0  0  0           0  0  0
    7.0663    2.6635    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6966    2.4540    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.0624    1.3868    0.0000 O   0  0  0  0  0  0           0  0  0
    6.3303    2.6648    0.0000 O   0  0  0  0  0  0           0  0  0
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    5.9596    2.0283    0.0000 C   0  0  2  0  0  0           0  0  0
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    5.2244    2.0326    0.0000 O   0  0  0  0  0  0           0  0  0
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    9.6358    2.0305    0.0000 C   0  0  0  0  0  0           0  0  0
 15 16  1  0     0  0
  6  7  1  0     0  0
 15 17  2  0     0  0
  2  3  1  0     0  0
  9 18  1  0     0  0
 18 19  1  0     0  0
  6  8  1  0     0  0
  1  4  1  0     0  0
  9 10  2  0     0  0
 18 23  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 10 11  1  0     0  0
 23 24  2  0     0  0
  3  5  1  0     0  0
 21 25  2  0     0  0
 11 12  2  0     0  0
 22 26  1  0     0  0
  1  2  1  0     0  0
 26 27  1  0     0  0
 12 13  1  0     0  0
 27 28  1  0     0  0
  4  6  1  0     0  0
 28 29  1  0     0  0
 13 14  2  0     0  0
 29 30  1  0     0  0
 14  9  1  0     0  0
 27 31  1  6     0  0
 12 32  1  0     0  0
 13 15  1  0     0  0
 16 33  1  0     0  0
 33  6  1  0     0  0
  5  7  1  0     0  0
M  END

$$$$
D0F4NH
  -OEChem-10101305022D

 66 68  0     0  0  0  0  0  0999 V2000
    6.1808    0.3131    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8718   -2.1242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0F4RX
  -OEChem-02041521182D

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M  END

$$$$
D0F4SY
          01261001222D 1   1.00000     0.00000     0

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 10  8  1  0     0  0
 11  9  1  0     0  0
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 17 15  2  0     0  0
 18 14  1  0     0  0
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M  END

$$$$
D0F4TV
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M  END

$$$$
D0F4VW
          07221001132D 1   1.00000     0.00000     0

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M  END

$$$$
D0F4ZN
  -OEChem-04152108472D

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M  END

$$$$
D0F5AR
  -OEChem-03141904522D

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 87169  1  0  0  0  0
 87170  1  0  0  0  0
M  END

$$$$
D0F5BL
          02161001072D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
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   10.3458    1.4583    0.0000 Cl  0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
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 10  4  1  0     0  0
 11  9  1  0     0  0
 12 15  1  0     0  0
 13  2  1  0     0  0
 14  3  1  0     0  0
 15  6  2  0     0  0
 16  9  1  0     0  0
 17 13  2  0     0  0
 18 14  2  0     0  0
 16 12  2  0     0  0
 17 18  1  0     0  0
M  END

$$$$
D0F5HB
  -OEChem-10101305022D

 63 67  0     0  0  0  0  0  0999 V2000
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  1 24  2  0  0  0  0
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 36 37  1  0  0  0  0
 36 60  1  0  0  0  0
 36 61  1  0  0  0  0
 36 62  1  0  0  0  0
M  END

$$$$
D0F5IY
  SciTegic02271217242D

 28 30  0  0  0  0            999 V2000
    8.9417   -5.8667    0.0000 O   0  0
    8.5333   -5.1542    0.0000 S   0  0
    8.1205   -5.8640    0.0000 O   0  0
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   10.6789   -6.3944    0.0000 C   0  0
   10.6771   -4.7414    0.0000 C   0  0
   12.1792   -4.8965    0.0000 O   0  0
   11.3925   -5.1505    0.0000 C   0  0
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   12.1795   -6.2326    0.0000 C   0  0
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   13.4889   -5.5600    0.0000 C   0  0
   13.9029   -6.2736    0.0000 O   0  0
   13.8998   -4.8446    0.0000 C   0  0
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 13 14  2  0
  7  4  1  0
 13 15  1  0
  9 10  1  0
 15 16  2  0
  2  1  2  0
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  4  5  2  0
 17 18  2  0
  3  2  2  0
 18 19  1  0
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 20 15  1  0
  6 10  2  0
 18 21  1  0
  8  9  1  0
 20 22  1  0
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 23 24  1  0
 12  8  1  0
 24 25  2  0
 24 26  1  0
 12 13  1  0
  4 27  1  0
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  9  7  2  0
  2 28  1  0
M  END

$$$$
D0F5JH
          08150600082D 1   1.00000     0.00000     0

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 20 21  1  0     0  0
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 13  8  1  0     0  0
 29 30  2  0     0  0
  1  2  2  0     0  0
 30 31  1  0     0  0
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 31 32  2  0     0  0
 32 27  1  0     0  0
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 14 15  1  0     0  0
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  6  9  1  0     0  0
 32 35  1  0     0  0
 15 16  1  0     0  0
 35 36  1  0     0  0
  8  7  1  0     0  0
 35 37  2  0     0  0
 16 17  1  0     0  0
 36 38  2  0     0  0
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 38 39  1  0     0  0
 17 18  2  0     0  0
 39 40  2  0     0  0
  2  3  1  0     0  0
 40 41  1  0     0  0
 18 19  1  0     0  0
 41 42  2  0     0  0
 42 36  1  0     0  0
  5  1  1  0     0  0
 40 43  1  0     0  0
 19 20  2  0     0  0
M  CHG  2  34  -1  44   1
M  END

$$$$
D0F5JR
  -OEChem-04152110342D

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M  END

$$$$
D0F5JZ
  -OEChem-10191522362D

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M  END

$$$$
D0F5LB
  SciTegic07311313042D

  2  1  0  0  0  0            999 V2000
    0.4144    0.0000    0.0000 C   0  5
   -0.4106    0.0000    0.0000 O   0  3
  1  2  3  0
M  CHG  2   1  -1   2   1
M  END

$$$$
D0F5TD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
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HETATM   11  N   UNL     1      -1.629   0.028   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.914  -0.384   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.200   0.028   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.914  -1.209   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.200   3.328   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.200  -1.622   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.114  -2.442   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.693  -2.614   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.106  -1.899   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.554  -1.286   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.106  -3.328   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.931  -3.328   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.343  -2.614   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.931  -1.899   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   15                                            
CONECT   11    3   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    7                                                 
CONECT   14   12   16                                                 
CONECT   15   10                                                      
CONECT   16   14   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19   16                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0F5UN
  -OEChem-10101305032D

 43 46  0     0  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
    5.4641    0.9400    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
    7.2764   -1.8647    0.0000 N   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
    4.5981    1.4400    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    0.9400    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
    3.7320    2.9400    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
    5.4641   -0.0600    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
    6.3301   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.2553    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
    7.8600   -1.0600    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   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0600    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
    2.8660   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0600    0.0000 C   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
    5.2087    2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    3.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.8574    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
    2.0000    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    0.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -2.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3700    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
    2.8660   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 35  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 34  1  0  0  0  0
  3 12  2  0  0  0  0
  3 16  1  0  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  4 37  1  0  0  0  0
  5 14  1  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 24  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 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 11  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 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 17 38  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 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D0F5VD
  -OEChem-10101305032D

 72 73  0     1  0  0  0  0  0999 V2000
    7.1962   -1.0000    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
    7.1962    0.0000    0.0000 O   0  0  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
    8.0622    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    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
    5.4641    0.0000    0.0000 N   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
    6.3301    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  1  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    1.5000    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
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  1  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   -4.0000    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
    8.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5000    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
    8.9282   -1.0000    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
    3.7320   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    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
    8.9282    5.0000    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
    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    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
    8.9282    6.0000    0.0000 C   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
    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
    6.1181    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
    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
    4.9272    0.3100    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
    6.6592    2.6900    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
    7.6636   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.1900    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
    9.7942   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.5826    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
   11.1972   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    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
    1.3800    0.0000    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 14  1  0  0  0  0
  1 22  1  0  0  0  0
  2 15  2  0  0  0  0
  3 18  2  0  0  0  0
  4 20  1  0  0  0  0
  4 31  1  0  0  0  0
  5 21  1  0  0  0  0
  5 32  1  0  0  0  0
  6 20  2  0  0  0  0
  7 21  2  0  0  0  0
 11  8  1  1  0  0  0
  8 18  1  0  0  0  0
  8 45  1  0  0  0  0
  9 15  1  0  0  0  0
 16  9  1  6  0  0  0
  9 48  1  0  0  0  0
 17 10  1  6  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 15  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  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 43  1  0  0  0  0
 14 44  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 46  1  0  0  0  0
 17 21  1  0  0  0  0
 17 47  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  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 26  1  0  0  0  0
 23 53  1  0  0  0  0
 24 27  2  0  0  0  0
 24 54  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 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
 29 33  1  0  0  0  0
 29 58  1  0  0  0  0
 30 34  2  0  0  0  0
 30 59  1  0  0  0  0
 31 36  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 37  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 35  2  0  0  0  0
 33 64  1  0  0  0  0
 34 35  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
M  END

$$$$
D0F5VX
  SciTegic01161211222D

 19 20  0  0  0  0            999 V2000
   -3.8959  -15.0012    0.0000 S   0  0
    1.0816  -16.1379    0.0000 C   0  0
   -2.2459  -15.0012    0.0000 N   0  0
   -3.4834  -14.2909    0.0000 C   0  0
    0.2934  -16.3900    0.0000 O   0  0
   -1.4209  -15.0012    0.0000 N   0  0
   -3.4834  -15.7254    0.0000 C   0  0
   -2.6584  -14.2909    0.0000 C   0  0
    1.0816  -15.3129    0.0000 C   0  0
   -0.1834  -15.7254    0.0000 C   0  0
   -1.0084  -15.7254    0.0000 C   0  0
   -2.6584  -15.7254    0.0000 C   0  0
    0.2934  -15.0516    0.0000 C   0  0
   -4.5284  -15.5375    0.0000 O   0  0
   -4.5284  -14.4787    0.0000 O   0  0
   -2.2459  -13.5759    0.0000 C   0  0
    1.8000  -16.5464    0.0000 N   0  3
    2.5124  -16.1303    0.0000 O   0  0
    1.8043  -17.3714    0.0000 O   0  5
  4  1  1  0
  5 10  1  0
  6  3  1  0
  7  1  1  0
  8  4  1  0
  9 13  1  0
 10 11  1  0
 11  6  2  0
 12  7  1  0
 13 10  2  0
 14  1  2  0
 15  1  2  0
 16  8  1  0
  8  3  1  0
  9  2  2  0
  2  5  1  0
  3 12  1  0
 17 18  2  0
 17 19  1  0
  2 17  1  0
M  CHG  2  17   1  19  -1
M  END

$$$$
D0F6JC
  -OEChem-10191522552D

 55 57  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
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 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D0F6TD
  -OEChem-10101305032D

 53 56  0     1  0  0  0  0  0999 V2000
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 28 29  2  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END

$$$$
D0F6TV
  -OEChem-02041521002D

117119  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0F6YK
  -OEChem-10101305032D

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 39 75  1  0  0  0  0
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 40 77  1  0  0  0  0
M  END

$$$$
D0F6YM
  -OEChem-03141904522D

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 25 53  1  0  0  0  0
M  END

$$$$
D0F6YW
  -OEChem-10101305022D

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 28 63  1  0  0  0  0
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 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 33  1  0  0  0  0
 30 70  1  0  0  0  0
 31 34  2  0  0  0  0
 31 71  1  0  0  0  0
 32 36  2  0  0  0  0
 32 72  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 74  1  0  0  0  0
 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 37 38  1  0  0  0  0
 38 77  1  0  0  0  0
 38 78  1  0  0  0  0
 38 79  1  0  0  0  0
M  END

$$$$
D0F6ZT
  -OEChem-10101305022D

 36 36  0     0  0  0  0  0  0999 V2000
    5.1350    2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    2.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8110    1.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    2.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0380    3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1910    4.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    3.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1270    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 36  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 30  1  0  0  0  0
  5 12  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 19  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  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 21  1  0  0  0  0
  9 22  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
 12 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 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D0F7GX
  -OEChem-10101305022D

 28 28  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 N   0  3  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    0.0000    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
    6.3301    0.0000    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   -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
    6.3301    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
    6.3301    3.0000    0.0000 C   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    0.3100    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
    4.9272    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.4749    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
    1.4631    0.8100    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
    6.9501    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  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
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  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
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 19  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
 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  CHG  2   3  -1   6   1
M  END

$$$$
D0F7NT
  -OEChem-08301509472D

 35 36  0     0  0  0  0  0  0999 V2000
    3.3024    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6048    3.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    5.1820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8346    3.1474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    6.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    4.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    6.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    5.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    6.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    4.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    5.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    3.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    4.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    3.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    3.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8346    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    4.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    3.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    6.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    6.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    7.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    7.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3985    4.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    6.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    5.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6717    3.3720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    2.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275    5.8366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275    2.5274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    5.0149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
  4 33  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  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 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  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
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D0F7PZ
          01181100072D 1   1.00000     0.00000     0

 39 43  0     1  0            999 V2000
    2.4724  -22.1846    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8933  -22.7616    0.0000 N   0  0  0  0  0  0           0  0  0
    3.5717  -21.8287    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5705  -22.5379    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1814  -22.8897    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7974  -22.5402    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7986  -21.8308    0.0000 N   0  0  3  0  0  0           0  0  0
    4.1839  -21.4710    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7599  -22.1858    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4130  -21.4742    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0296  -21.8342    0.0000 C   0  0  3  0  0  0           0  0  0
    5.4150  -20.7617    0.0000 O   0  0  0  0  0  0           0  0  0
    6.0277  -22.5467    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6483  -21.4776    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8914  -21.6063    0.0000 N   0  0  3  0  0  0           0  0  0
    2.5250  -20.9875    0.0000 C   0  0  1  0  0  0           0  0  0
    1.8206  -19.9613    0.0000 C   0  0  2  0  0  0           0  0  0
    1.5570  -19.3829    0.0000 N   0  0  3  0  0  0           0  0  0
    1.1988  -20.3066    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4105  -20.1618    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5605  -20.5946    0.0000 C   0  0  1  0  0  0           0  0  0
    1.0222  -20.9527    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1350  -20.5984    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3188  -19.4476    0.0000 H   0  0  0  0  0  0           0  0  0
    1.3839  -21.2441    0.0000 H   0  0  0  0  0  0           0  0  0
    0.9393  -19.0288    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3218  -19.3830    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2959  -19.0290    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.9093  -19.3832    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.5269  -19.0291    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1445  -19.3834    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5270  -18.3166    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2960  -18.3165    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3206  -17.9613    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3208  -17.2494    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2973  -16.8946    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9127  -17.2527    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9099  -17.9633    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5316  -16.9007    0.0000 F   0  0  0  0  0  0           0  0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
 17 18  1  0     0  0
 17 19  1  0     0  0
 17 20  1  0     0  0
 18 21  1  0     0  0
 19 22  1  0     0  0
 20 16  1  0     0  0
 21 23  1  0     0  0
 21 22  1  0     0  0
 16 23  1  0     0  0
 17 24  1  6     0  0
 15  1  1  0     0  0
 21 25  1  1     0  0
  1  9  1  0     0  0
 26 18  1  0     0  0
  7 10  1  0     0  0
 26 27  1  0     0  0
  3 15  1  0     0  0
 27 28  1  0     0  0
 10 11  1  0     0  0
 28 29  1  0     0  0
 10 12  2  0     0  0
 29 30  1  0     0  0
 11 13  1  0     0  0
 30 31  1  0     0  0
 11 14  1  0     0  0
 30 32  2  0     0  0
 28 33  1  6     0  0
 16 15  1  6     0  0
 33 34  2  0     0  0
  3  4  2  0     0  0
 34 35  1  0     0  0
  2  4  1  0     0  0
 35 36  2  0     0  0
  1  2  2  0     0  0
 36 37  1  0     0  0
  3  8  1  0     0  0
 37 38  2  0     0  0
 38 33  1  0     0  0
  4  5  1  0     0  0
 37 39  1  0     0  0
M  END

$$$$
D0F7ZJ
          01210517072D 1   1.00000     0.00000     0

134137  0     1  0            999 V2000
    8.5917   -2.0125    0.0000 N   0  0  0  0  0  0           0  0  0
    7.9667   -0.9417    0.0000 C   0  0  0  0  0  0           0  0  0
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M  END

$$$$
D0F8GK
  -OEChem-10121500512D

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 26 43  1  0  0  0  0
M  END

$$$$
D0F8HS
  -OEChem-10191522302D

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M  END

$$$$
D0F8UV
  -OEChem-04152110422D

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    3.9344   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4713   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1972    4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6675   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9965   -6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3995   -4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3995   -5.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0632    6.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2690    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  2  0  0  0  0
  2 30  2  0  0  0  0
  3 37  2  0  0  0  0
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 10 59  2  0  0  0  0
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 23 12  1  1  0  0  0
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 40 53  1  0  0  0  0
 40100  1  0  0  0  0
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 41 54  1  0  0  0  0
 41 55  1  0  0  0  0
 41102  1  0  0  0  0
 42 50  1  0  0  0  0
 42 51  1  0  0  0  0
 42103  1  0  0  0  0
 44104  1  0  0  0  0
 44105  1  0  0  0  0
 44106  1  0  0  0  0
 45107  1  0  0  0  0
 45108  1  0  0  0  0
 45109  1  0  0  0  0
 46 52  1  0  0  0  0
 46 57  1  0  0  0  0
 46110  1  0  0  0  0
 47 62  2  0  0  0  0
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 48 60  1  0  0  0  0
 48114  1  0  0  0  0
 50 58  1  0  0  0  0
 50115  1  0  0  0  0
 50116  1  0  0  0  0
 53119  1  0  0  0  0
 53120  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
 56 61  1  0  0  0  0
 56128  1  0  0  0  0
 56129  1  0  0  0  0
 57130  1  0  0  0  0
 57131  1  0  0  0  0
 57132  1  0  0  0  0
 58 66  2  0  0  0  0
 58 67  1  0  0  0  0
 60134  1  0  0  0  0
 60135  1  0  0  0  0
 62 64  1  0  0  0  0
 62136  1  0  0  0  0
 63 65  2  0  0  0  0
 63137  1  0  0  0  0
 64 68  2  0  0  0  0
 64140  1  0  0  0  0
 65 68  1  0  0  0  0
 65141  1  0  0  0  0
 66 69  1  0  0  0  0
 66142  1  0  0  0  0
 67 70  2  0  0  0  0
 67143  1  0  0  0  0
 68144  1  0  0  0  0
 69 71  2  0  0  0  0
 69147  1  0  0  0  0
 70 71  1  0  0  0  0
 70148  1  0  0  0  0
 71149  1  0  0  0  0
M  END

$$$$
D0F9FR
  -OEChem-04152122252D

 11 11  0     0  0  0  0  0  0999 V2000
    3.3090    1.0794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.4594    0.0000 N   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
    2.3090    1.0794    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
    1.4336    0.3805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.2083    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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  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
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END

$$$$
D0F9IX
  SciTegic01241410302D

 63 71  0  0  0  0            999 V2000
    3.9659    1.3770    0.0000 C   0  0
    4.5179    1.9901    0.0000 C   0  0
    5.2716    1.6545    0.0000 N   0  0
    5.1854    0.8340    0.0000 C   0  0  1  0  0  0
    4.3784    0.6625    0.0000 C   0  0
    7.0179   -0.2609    0.0000 C   0  0
    6.6054    0.4535    0.0000 N   0  0
    6.4659   -0.8740    0.0000 C   0  0
    5.7122   -0.5385    0.0000 N   0  0
    6.7208   -1.6587    0.0000 C   0  0
    7.5278   -1.8302    0.0000 C   0  0
    7.7828   -2.6148    0.0000 C   0  0
    8.5674   -2.8698    0.0000 C   0  0
    9.3520   -2.6148    0.0000 S   0  0
    8.5674   -3.6948    0.0000 C   0  0
    9.3520   -3.9497    0.0000 C   0  0
    9.8369   -3.2823    0.0000 C   0  0
    9.6069   -4.7343    0.0000 C   0  0
   10.4139   -4.9058    0.0000 C   0  0
   10.6688   -5.6905    0.0000 C   0  0
   10.1168   -6.3036    0.0000 C   0  0
   10.3718   -7.0882    0.0000 C   0  0
    9.8868   -7.7556    0.0000 C   0  0
   10.3718   -8.4231    0.0000 N   0  0
   11.1564   -7.3431    0.0000 N   0  0
    9.3098   -6.1320    0.0000 C   0  0
    9.0549   -5.3474    0.0000 C   0  0
    7.7828   -3.9497    0.0000 S   0  0
    7.2978   -3.2823    0.0000 C   0  0
    8.0799   -1.2171    0.0000 C   0  0
    7.8249   -0.4325    0.0000 C   0  0
    5.7985    0.2820    0.0000 C   0  0
    5.9861    2.8920    0.0000 C   0  0  1  0  0  0
    5.9861    2.0670    0.0000 C   0  0
    6.7006    3.3045    0.0000 N   0  0
    6.7006    1.6545    0.0000 O   0  0
   10.5319  -10.3170    0.0000 C   0  0  1  0  0  0
    9.9799   -9.7039    0.0000 C   0  0
   10.2770  -11.1016    0.0000 N   0  0
   11.8909  -10.7586    0.0000 O   0  0
   11.3389  -10.1455    0.0000 C   0  0
   11.8238   -9.4780    0.0000 N   0  0
    9.1729   -9.8754    0.0000 C   0  0
    8.6209   -9.2623    0.0000 C   0  0
    8.8758   -8.4777    0.0000 C   0  0
    9.6828   -8.3062    0.0000 C   0  0
   10.2348   -8.9193    0.0000 C   0  0
    5.2716    3.3045    0.0000 C   0  0
    4.5571    2.8920    0.0000 C   0  0
   11.6360  -11.5432    0.0000 O   0  0
   10.8290  -11.7147    0.0000 C   0  0
   10.5741  -12.4993    0.0000 O   0  0
    6.7006    4.1295    0.0000 C   0  0
    7.4150    4.5420    0.0000 O   0  0
    5.9861    4.5420    0.0000 O   0  0
   11.8238   -8.6530    0.0000 C   0  0  1  0  0  0
   12.6084   -8.3981    0.0000 C   0  0
   13.0934   -9.0655    0.0000 C   0  0
   12.6084   -9.7330    0.0000 C   0  0
   11.1564   -8.1681    0.0000 C   0  0
   11.1261  -13.1124    0.0000 C   0  0
    7.4150    5.3670    0.0000 C   0  0
    5.2716    4.1295    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3 34  1  0
  4  3  1  0
  4  5  1  0
  5  1  1  0
  6  7  1  0
  6 31  1  0
  7 32  1  0
  8  6  2  0
  8 10  1  0
  9  8  1  0
 10 11  2  0
 11 12  1  0
 12 29  2  0
 13 12  1  0
 13 15  2  0
 14 13  1  0
 14 17  1  0
 15 16  1  0
 15 28  1  0
 16 18  1  0
 17 16  2  0
 18 19  1  0
 18 27  2  0
 19 20  2  0
 20 21  1  0
 21 26  2  0
 22 21  1  0
 22 25  1  0
 23 22  2  0
 24 23  1  0
 25 60  2  0
 27 26  1  0
 29 28  1  0
 30 11  1  0
 31 30  2  0
 32  9  2  0
  4 32  1  6
 33 34  1  0
 34 36  2  0
 35 33  1  0
 35 53  1  0
 37 39  1  0
 38 43  2  0
 38 47  1  0
 40 41  2  0
 41 42  1  0
 41 37  1  0
 44 43  1  0
 45 44  2  0
 46 45  1  0
 47 46  2  0
 48 49  1  0
 33 48  1  6
 48 63  1  0
 50 51  2  0
 51 39  1  0
 51 52  1  0
 52 61  1  0
 53 55  2  0
 54 53  1  0
 54 62  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 42  1  0
 60 24  1  0
 56 60  1  6
 56 42  1  0
 37 38  1  6
M  END

$$$$
D0F9NA
  SciTegic12111210002D

 34 37  0  0  1  0            999 V2000
    0.8167    0.6875    0.0000 C   0  0  2  0  0  0
   -0.9000    0.6875    0.0000 C   0  0
    2.5417    0.6875    0.0000 C   0  0
   -0.0375    1.1833    0.0000 C   0  0
    1.6792    1.1833    0.0000 C   0  0
    0.8167   -0.3042    0.0000 C   0  0  2  0  0  0
    2.5417   -0.3042    0.0000 C   0  0
   -1.7625    1.1833    0.0000 C   0  0
   -0.9000   -0.3042    0.0000 C   0  0  1  0  0  0
   -2.6250    0.6875    0.0000 C   0  0
   -1.7625   -0.8000    0.0000 C   0  0  1  0  0  0
   -2.6250   -0.3042    0.0000 C   0  0
    1.6792   -0.8000    0.0000 C   0  0  1  0  0  0
   -0.0375   -0.8000    0.0000 C   0  0
    3.4125    1.1833    0.0000 C   0  0
    1.6667    2.1750    0.0000 O   0  0
   -1.7500    2.1750    0.0000 O   0  0
    1.6667   -1.7917    0.0000 N   0  0
   -3.4833    1.1833    0.0000 C   0  0
    0.8292    1.8000    0.0000 O   0  0
    3.4167    2.1833    0.0000 O   0  0
   -0.0333    2.1750    0.0000 O   0  0
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   -1.3708   -1.6167    0.0000 O   0  0
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   -3.4833   -0.8000    0.0000 C   0  0
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   -0.9000   -1.1417    0.0000 H   0  0
  2  4  2  0
  3  5  1  0
  4  1  1  0
  5  1  1  0
  6  1  1  0
  7 13  1  0
  8  2  1  0
  9 14  1  0
 10  8  1  0
 11  9  1  0
 12 11  1  0
 13  6  1  0
 14  6  1  0
 15  3  1  0
 16  5  2  0
 17  8  2  0
 13 18  1  1
 19 10  1  0
  1 20  1  1
 21 15  2  0
 22  4  1  0
 23  7  1  0
 11 24  1  6
 25 15  1  0
 26 12  1  0
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 28 19  1  0
 29 26  2  0
 30 19  2  0
 31 18  1  0
 32 18  1  0
  6 33  1  1
  9 34  1  1
  2  9  1  0
  3  7  2  0
 12 10  2  0
 29 30  1  0
M  END

$$$$
D0F9VH
  -OEChem-10101305032D

123129  0     1  0  0  0  0  0999 V2000
   11.0402    2.2465    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4796   -6.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8134   -2.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9189    0.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9351   -5.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0FA6S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.874   0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.874  -0.412   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.160  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.445  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.445   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.160   0.825   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.731   0.825   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.016   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.016  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.302  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.412  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.412   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.302   0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.127  -0.825   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.841  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.556  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.841   0.412   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.270  -0.412   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.985  -0.825   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       3.270   0.412   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.699  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.414  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       6.128  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       6.128   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.414   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.699   0.412   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       6.843   0.825   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       2.143  -1.540   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.968  -1.540   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.589   0.825   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.303   0.412   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.018   0.825   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.303  -0.412   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.430   1.540   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.843   0.825   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -1.731  -0.825   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       1.127   0.825   0.000  1.00  0.00           F  
CONECT    1    2    6   30                                            
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   36                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   37                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   28   29                                       
CONECT   17   15                                                      
CONECT   18   16   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28   16   29                                                 
CONECT   29   28   16                                                 
CONECT   30    1   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   34   35                                            
CONECT   33   31                                                      
CONECT   34   32   35                                                 
CONECT   35   34   32                                                 
CONECT   36    9                                                      
CONECT   37   12                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0FD6D
  -OEChem-10121501532D

 63 69  0     0  0  0  0  0  0999 V2000
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  1 24  2  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  3 46  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 32  1  0  0  0  0
  5 22  2  0  0  0  0
  6 28  1  0  0  0  0
  6 33  1  0  0  0  0
  6 60  1  0  0  0  0
  7 33  2  0  0  0  0
  7 34  1  0  0  0  0
  8 33  1  0  0  0  0
  8 35  2  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
 10 15  1  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
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  0  0  0  0
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 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 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
 21 44  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
 23 45  1  0  0  0  0
 25 28  2  0  0  0  0
 25 47  1  0  0  0  0
 26 29  2  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  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
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 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 34 36  2  0  0  0  0
 34 61  1  0  0  0  0
 35 36  1  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  END

$$$$
D0FE7H
  -OEChem-10191521162D

 98103  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0FJ9I
  -OEChem-04152110462D

 51 54  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0FK6O
  -OEChem-03141904502D

 52 56  0     1  0  0  0  0  0999 V2000
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 30 51  1  0  0  0  0
M  END

$$$$
D0FL2K
  -OEChem-03141904472D

 54 57  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0FM7Z
          07020900282D 1   1.00000     0.00000     0

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 24 25  1  0     0  0
 11 12  1  0     0  0
 25 26  1  0     0  0
  2 10  1  0     0  0
M  END

$$$$
D0FP0D
  -OEChem-04152110142D

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M  END

$$$$
D0FP0R
  -OEChem-10101305032D

 37 39  0     0  0  0  0  0  0999 V2000
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 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
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 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D0FQ2U
  -OEChem-04152110352D

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 10  5  1  1  0  0  0
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 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END

$$$$
D0FT4R
  -OEChem-10121500502D

 52 53  0     0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
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 29 51  1  0  0  0  0
M  END

$$$$
D0FV3K
  -OEChem-03141904462D

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 35 60  1  0  0  0  0
 36 61  1  0  0  0  0
 36 62  1  0  0  0  0
M  END

$$$$
D0FX8N
  -OEChem-04152111322D

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M  END

$$$$
D0FZ1W
          12310900052D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
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 10  1  1  0     0  0
 11  4  1  0     0  0
 12 21  1  0     0  0
 13 20  1  0     0  0
 14  8  2  0     0  0
 15 11  2  0     0  0
 16  9  1  0     0  0
 17  3  1  0     0  0
 18 10  2  0     0  0
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 25 24  1  0     0  0
 26 17  1  0     0  0
 27 16  1  0     0  0
 28 26  1  0     0  0
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 18 15  1  0     0  0
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 16 19  2  0     0  0
M  END

$$$$
D0G0BL
  -OEChem-04152111192D

 56 60  0     1  0  0  0  0  0999 V2000
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 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
M  END

$$$$
D0G0RT
  -OEChem-10121501412D

 51 53  0     1  0  0  0  0  0999 V2000
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  8  1  1  6  0  0  0
  1 41  1  0  0  0  0
  2 17  1  0  0  0  0
  2 48  1  0  0  0  0
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 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END

$$$$
D0G0TS
  -OEChem-10111523292D

 73 79  0     0  0  0  0  0  0999 V2000
    6.7922   -4.1761    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 42 73  1  0  0  0  0
M  END

$$$$
D0G0VV
  -OEChem-10121504082D

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 40 71  1  0  0  0  0
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 42 73  1  0  0  0  0
M  END

$$$$
D0G0YL
  -OEChem-10101305022D

 43 44  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0G0YZ
  -OEChem-10191521162D

 37 39  0     0  0  0  0  0  0999 V2000
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  1 16  1  0  0  0  0
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  2 33  1  0  0  0  0
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 10 14  1  0  0  0  0
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 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

$$$$
D0G1IV
  SciTegic11201309402D

 24 27  0  0  0  0            999 V2000
    1.4817   -0.6391    0.0000 C   0  0
    2.2939   -0.4939    0.0000 C   0  0
    2.5742    0.2820    0.0000 C   0  0
    3.3863    0.4272    0.0000 O   0  0
    2.0423    0.9127    0.0000 C   0  0
    1.2302    0.7675    0.0000 C   0  0
    0.6984    1.3982    0.0000 C   0  0
   -0.1137    1.2530    0.0000 C   0  0
   -0.3940    0.4771    0.0000 C   0  0  2  0  0  0
    0.1378   -0.1536    0.0000 C   0  0  1  0  0  0
    0.9499   -0.0084    0.0000 C   0  0  1  0  0  0
   -0.1425   -0.9295    0.0000 C   0  0
   -0.9546   -1.0748    0.0000 C   0  0
   -1.4864   -0.4440    0.0000 C   0  0  1  0  0  0
   -1.2061    0.3319    0.0000 C   0  0  1  0  0  0
   -1.8575    0.8382    0.0000 C   0  0
   -2.5403    0.3753    0.0000 C   0  0
   -2.3110   -0.4172    0.0000 C   0  0  2  0  0  0
   -2.8174   -1.0686    0.0000 O   0  0
   -1.8463   -1.1864    0.0000 C   0  0
    0.6696   -0.7843    0.0000 C   0  0
   -0.9666    1.3028    0.0000 H   0  0
    0.7824   -0.9181    0.0000 H   0  0
   -1.0386    1.2416    0.0000 H   0  0
  1  2  1  0
  1 11  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
 11  6  1  0
  7  8  1  0
  9  8  1  0
  9 10  1  0
 15  9  1  0
 11 10  1  0
 10 12  1  0
 11 21  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 18  1  0
 14 20  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
 15 22  1  6
 10 23  1  6
  9 24  1  1
M  END

$$$$
D0G1TY
  -OEChem-10101305022D

 64 67  0     0  0  0  0  0  0999 V2000
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   11.5923    1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.0000    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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   11.5884   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 61  1  0  0  0  0
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 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END

$$$$
D0G1WV
  -OEChem-04152122272D

 36 36  0     0  0  0  0  0  0999 V2000
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 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D0G1YO
  -OEChem-10101305022D

 50 54  0     0  0  0  0  0  0999 V2000
    7.7619   -2.5234    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.9407    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 23 24  2  0  0  0  0
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 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D0G2CG
  -OEChem-03141904542D

 52 56  0     0  0  0  0  0  0999 V2000
    7.3234    2.9320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465    0.9322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6563    3.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2407    4.0407    0.0000 C   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
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0G2IC
  -OEChem-10101305032D

 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
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    3.7320    1.9050    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 31  1  0  0  0  0
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  4 11  1  1  0  0  0
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  5  7  2  0  0  0  0
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 10 22  1  0  0  0  0
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 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D0G2QH
  -OEChem-04152109552D

 65 69  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0G2XE
  -OEChem-10121500432D

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M  END

$$$$
D0G2XR
  -OEChem-04152111102D

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M  CHG  2   3   1   4   1
M  END

$$$$
D0G2ZL
          11220700092D 1   1.00000     0.00000     0

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    0.1310   -0.0207    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.6897   -0.8517    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5724   -2.0862    0.0000 C   0  0  2  0  0  0           0  0  0
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   -0.5655   -2.9172    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2034   -1.5379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9690   -2.2655    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0034   -2.1034    0.0000 O   0  0  0  0  0  0           0  0  0
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   -1.9966   -2.9345    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.7000   -3.3517    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5966    0.6103    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
  5 10  1  0     0  0
  6 11  1  0     0  0
  8 12  1  0     0  0
  9 13  1  0     0  0
 10 14  1  0     0  0
 12 15  1  0     0  0
 12 16  1  0     0  0
 14 17  1  0     0  0
 14 18  1  0     0  0
 14 19  2  0     0  0
 17 20  1  0     0  0
 18 21  1  0     0  0
 20 22  1  0     0  0
 20 23  1  1     0  0
 21 24  1  0     0  0
 21 25  1  6     0  0
 22 26  1  0     0  0
 22 27  2  0     0  0
 24 28  1  0     0  0
 24 29  2  0     0  0
 26 30  1  0     0  0
 28 31  1  0     0  0
 30 32  1  0     0  0
 31 33  1  0     0  0
  7  9  1  0     0  0
 10 11  2  0     0  0
M  END

$$$$
D0G3AR
  -OEChem-04152109302D

 28 30  0     0  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
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.3047    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
    2.8660   -1.5000    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
    4.5981    0.5000    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
    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
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    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2646    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4675   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.1077    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
    4.9272   -1.3100    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
  1  9  1  0  0  0  0
  1 10  1  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
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  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
  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 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
 11 12  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 26  1  0  0  0  0
 14 17  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D0G3BN
  -OEChem-04152122292D

 44 46  0     1  0  0  0  0  0999 V2000
    5.8005   -0.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7822    2.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1424    0.7034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9344   -0.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1369    0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4732    1.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5436   -0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344   -1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -0.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5684   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3005   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872   -0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1131    3.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604    2.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5684   -2.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3005   -2.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344   -3.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3645    1.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7265    0.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9258    1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0915    0.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9080   -0.6072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0806    0.2044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315   -1.3308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374   -1.3308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788   -1.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5739    3.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    3.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6524    2.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8893    1.9991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    2.7344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315   -2.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    1.6818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374   -2.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942   -1.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344   -3.7608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    0.4779    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
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  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  8  1  0  0  0  0
  4  9  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 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  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 19  2  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
 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 20  2  0  0  0  0
 16 39  1  0  0  0  0
 17 21  2  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 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END

$$$$
D0G3GF
  -OEChem-10101305022D

103108  0     1  0  0  0  0  0999 V2000
    3.5377    0.6200    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.6723    8.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0182    7.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0220    9.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9763   10.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5875   18.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1196   17.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7273   19.8572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5759   15.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8439   15.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    6.9247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245   11.1869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2697    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4037    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4037    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1357    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8555   18.3606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2697    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8516   17.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7157   16.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5312   19.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2593   18.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1234   18.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7234   18.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3914   18.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7118   15.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 58 97  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  1  0  0  0  0
M  END

$$$$
D0G3LM
  -OEChem-10101305022D

 17 17  0     0  0  0  0  0  0999 V2000
    5.7281   -1.6781    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.6697    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3090    0.8691    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
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  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 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  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
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END

$$$$
D0G3MN
  -OEChem-10121501492D

 53 56  0     0  0  0  0  0  0999 V2000
   10.4760    4.0696    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1159    2.8084    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2148    3.4298    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0G3YC
  -OEChem-10121500422D

 73 76  0     0  0  0  0  0  0999 V2000
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 40 41  2  0  0  0  0
 40 72  1  0  0  0  0
 41 73  1  0  0  0  0
M  END

$$$$
D0G3ZX
  -OEChem-02061504202D

 14 13  0     0  0  0  0  0  0999 V2000
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  1  6  2  0  0  0  0
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  5  7  2  0  0  0  0
  5 14  1  0  0  0  0
M  END

$$$$
D0G4CF
  -OEChem-10121500402D

 53 56  0     0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D0G4DE
  -OEChem-10101305032D

 31 32  0     0  0  0  0  0  0999 V2000
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    5.6720    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -3.0600    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
    2.0000    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 14  1  0  0  0  0
  2 30  1  0  0  0  0
  3 15  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 13  1  0  0  0  0
  7  9  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  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  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
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  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  CHG  2   4  -1   6   1
M  END

$$$$
D0G4ES
          05111100072D 1   1.00000     0.00000     0

 46 52  0     1  0            999 V2000
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    0.1083    2.9333    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2292    0.5875    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4667    2.1625    0.0000 C   0  0  1  0  0  0           0  0  0
   -3.8333   -2.8833    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.4750   -0.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8250    2.9333    0.0000 N   0  0  3  0  0  0           0  0  0
   -5.1875   -5.2708    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.4958   -2.0583    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2167   -2.1333    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.5042   -3.5417    0.0000 C   0  0  0  0  0  0           0  0  0
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   -5.1875   -6.7958    0.0000 C   0  0  0  0  0  0           0  0  0
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   -3.9750    6.7958    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.3083    1.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4833   -4.3125    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 12  1  0     0  0
  6  1  2  0     0  0
  7  2  2  0     0  0
  8  5  1  0     0  0
  9  3  1  0     0  0
 10  4  1  0     0  0
 11  8  1  0     0  0
 12  9  2  0     0  0
 13 19  1  0     0  0
 14  6  1  0     0  0
 15 22  1  0     0  0
 16 15  1  0     0  0
 17 14  2  0     0  0
 18  9  1  0     0  0
 19 18  2  0     0  0
  4 20  1  1     0  0
  8 21  1  6     0  0
 22 27  2  0     0  0
 23 30  1  0     0  0
 24  7  1  0     0  0
 25 24  1  0     0  0
 26 28  1  0     0  0
 27 20  1  0     0  0
 28 13  1  0     0  0
 29 16  1  0     0  0
 30 33  2  0     0  0
 31  6  1  0     0  0
 32 21  1  0     0  0
 33 27  1  0     0  0
 34 14  1  0     0  0
 35 18  1  0     0  0
 36 38  1  0     0  0
 37 39  2  0     0  0
 38 32  2  0     0  0
 39 32  1  0     0  0
 40 23  1  0     0  0
 41 10  1  0     0  0
 42 11  1  0     0  0
 43 31  1  0     0  0
 44 34  1  0     0  0
 45 35  1  0     0  0
 46 40  1  0     0  0
 17  7  1  0     0  0
 25 10  1  0     0  0
 13  5  2  0     0  0
 26 11  1  0     0  0
 23 15  2  0     0  0
 37 29  1  0     0  0
 36 29  2  0     0  0
M  END

$$$$
D0G4GA
  -OEChem-04152111202D

 47 50  0     1  0  0  0  0  0999 V2000
    2.8966    3.0404    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3057    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532    1.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3346    0.6426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4368   -0.1338    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9475   -2.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1759   -3.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2064   -1.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3687    0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5934    1.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554    2.0745    0.0000 C   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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 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 26 47  1  0  0  0  0
M  END

$$$$
D0G4MB
  SciTegic11201309402D

 70 70  0  0  1  0            999 V2000
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 67 56  1  0
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 69 58  1  0
 70 66  1  0
 50 52  1  0
M  ENDM  END

$$$$
D0G4YZ
          06300600532D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
    2.6277   -8.8416    0.0000 N   0  0  0  0  0  0           0  0  0
    2.6266   -9.5523    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2414   -9.9069    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8537   -9.5519    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8508   -8.8380    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2396   -8.4872    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4631   -8.4818    0.0000 N   0  0  3  0  0  0           0  0  0
    5.0777   -8.8340    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6899   -8.4778    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3010   -8.8331    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9129   -8.4775    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9109   -7.7684    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2920   -7.4164    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.4625   -9.9042    0.0000 O   0  0  0  0  0  0           0  0  0
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    5.6809   -9.8883    0.0000 C  -1  0  0  0  0  0           0  0  0
 12 13  1  0     0  0
  1  2  2  0     0  0
 13 14  2  0     0  0
 14  9  1  0     0  0
  5  7  1  0     0  0
 10 15  1  0     0  0
  3  4  2  0     0  0
  4 16  1  0     0  0
  7  8  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
  8  9  1  0     0  0
 18 19  1  0     0  0
  4  5  1  0     0  0
 19 20  2  0     0  0
  9 10  2  0     0  0
 20 21  1  0     0  0
  2  3  1  0     0  0
 21 22  2  0     0  0
 22 17  1  0     0  0
 10 11  1  0     0  0
  7 23  1  0     0  0
  5  6  2  0     0  0
 23 24  2  0     0  0
 11 12  2  0     0  0
 23 25  1  0     0  0
  6  1  1  0     0  0
 15 26  1  0     0  0
M  ISO  1  26  11
M  END

$$$$
D0G5BI
  -OEChem-10101305032D

 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
    4.5411   -0.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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  2  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
    4.8198   -2.6214    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
  1 10  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 24  1  0  0  0  0
  4 13  2  0  0  0  0
  8  5  1  1  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  2  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  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
 10 11  1  1  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  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

$$$$
D0G5CS
  -OEChem-10101305032D

 31 33  0     1  0  0  0  0  0999 V2000
    5.4641    0.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9942    0.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
  3 11  1  0  0  0  0
  3 30  1  0  0  0  0
  4 16  1  0  0  0  0
  4 31  1  0  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  9  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  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
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 10 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 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

$$$$
D0G5LY
          01230515462D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
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    4.4542   -1.9417    0.0000 N   0  0  3  0  0  0           0  0  0
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  2  1  1  0     0  0
  3  2  1  0     0  0
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  7  6  1  0     0  0
  8  1  2  0     0  0
  9  1  2  0     0  0
 10  3  2  0     0  0
 11  7  1  0     0  0
 12  7  2  0     0  0
 13 11  1  0     0  0
 14  4  1  0     0  0
 15 19  1  0     0  0
 16  5  1  0     0  0
 17 13  2  0     0  0
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 20 17  1  0     0  0
 21 15  1  0     0  0
 22 23  1  0     0  0
 23 16  2  0     0  0
  4  3  1  0     0  0
 22 14  2  0     0  0
 15 20  2  0     0  0
M  END

$$$$
D0G5ME
  -OEChem-10121501052D

 67 71  0     1  0  0  0  0  0999 V2000
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   10.8655    3.3906    0.0000 F   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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 10 15  1  0  0  0  0
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 11 24  1  0  0  0  0
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 13 30  1  0  0  0  0
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 17 20  1  0  0  0  0
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 18 24  1  0  0  0  0
 18 27  1  1  0  0  0
 18 46  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
 21 23  1  0  0  0  0
 21 25  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
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 24 57  1  0  0  0  0
 27 32  2  0  0  0  0
 27 33  1  0  0  0  0
 28 31  2  0  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  2  0  0  0  0
 33 62  1  0  0  0  0
 34 38  2  0  0  0  0
 34 63  1  0  0  0  0
 36 39  2  0  0  0  0
 37 39  1  0  0  0  0
 37 64  1  0  0  0  0
 38 40  1  0  0  0  0
 38 65  1  0  0  0  0
 39 66  1  0  0  0  0
 40 67  1  0  0  0  0
M  END

$$$$
D0G5PF
  -OEChem-10191523082D

 46 48  0     1  0  0  0  0  0999 V2000
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    8.1014   -3.6036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1340   -2.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229   -3.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121   -4.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9560   -0.2969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3496   -0.5281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6015   -3.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985   -3.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4631    4.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  6  0  0  0
  1 36  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  1  0  0  0
  6  9  1  0  0  0  0
  6 25  1  1  0  0  0
  7 10  1  0  0  0  0
  7 13  1  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 12  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 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
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 13 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 38  1  0  0  0  0
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 18 20  2  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  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 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

$$$$
D0G5SU
          05111100072D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
   -1.6276   -0.0414    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6276   -0.8759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9069    0.3759    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3414    0.3690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9103   -1.2897    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.3414   -1.2862    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1862   -0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9069    1.2000    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.0517   -0.0448    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3448    1.1931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1862   -0.8759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9138   -2.1138    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0552   -0.8724    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5276    0.3690    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6310    1.6069    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5241   -1.2897    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.3828    1.1828    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  2  0     0  0
  2  5  1  0     0  0
  2  6  2  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
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
 10 15  1  0     0  0
 11 16  2  0     0  0
 14 17  1  0     0  0
 14 18  2  0     0  0
 17 19  1  0     0  0
 17 20  1  0     0  0
 19 21  2  0     0  0
 19 22  1  0     0  0
 20 23  1  0     0  0
 21 24  1  0     0  0
 22 25  2  0     0  0
 24 26  2  0     0  0
  7 11  1  0     0  0
  9 13  2  0     0  0
 25 26  1  0     0  0
M  END

$$$$
D0G5YR
          04281100072D 1   1.00000     0.00000     0

 63 66  0     1  0            999 V2000
   -0.7072   -4.6221    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3103   -4.2506    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.7274   -5.3301    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9336   -4.5872    0.0000 R   0  0  0  0  0  0           0  0  0
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    4.2000   -4.4833    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5750   -4.1458    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.7455   -4.5522    0.0000 S   0  0  0  0  0  0           0  0  0
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    0.5191   -4.5872    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0125   -1.7583    0.0000 C   0  0  1  0  0  0           0  0  0
    5.4000   -2.1083    0.0000 C   0  0  1  0  0  0           0  0  0
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    8.2583   -2.1208    0.0000 N   0  0  3  0  0  0           0  0  0
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   10.0833   -1.7792    0.0000 C   0  0  0  0  0  0           0  0  0
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  5 10  1  0     0  0
 10 11  1  0     0  0
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 11 12  1  0     0  0
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 12 13  1  0     0  0
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 15 14  1  0     0  0
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 17 25  1  0     0  0
 18 23  1  0     0  0
 19 21  1  0     0  0
 20 19  1  0     0  0
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 13 63  1  0     0  0
 63  1  1  0     0  0
M  END

$$$$
D0G6CF
  -OEChem-03141904522D

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 19 40  1  0  0  0  0
M  END

$$$$
D0G6EI
  -OEChem-10191522562D

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 32 60  1  0  0  0  0
M  END

$$$$
D0G6HI
          09250901222D 1   1.00000     0.00000     0

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 38  1  1  0     0  0
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 15 20  2  0     0  0
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M  END

$$$$
D0G6QV
          12151000392D 1   1.00000     0.00000     0

 30 33  0     1  0            999 V2000
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 10 16  2  0     0  0
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 13  6  2  0     0  0
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 17  4  2  0     0  0
 18  9  2  0     0  0
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 21  3  2  0     0  0
  2 22  1  6     0  0
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 27 19  2  0     0  0
 28 23  1  0     0  0
 29 24  1  0     0  0
  8 30  1  1     0  0
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 26 23  2  0     0  0
 10 15  1  0     0  0
 20 24  2  0     0  0
M  END

$$$$
D0G6TL
  -OEChem-02061503592D

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M  END

$$$$
D0G6UQ
  MDL     03220707542D 1   1.00000     0.00000     0

162161  0     1  0            999 V2000
    0.2917   -5.9792    0.0000 Na  0  3  0  0  0  0           0  0  0
    0.2708   -6.5042    0.0000 Na  0  3  0  0  0  0           0  0  0
    0.8417   -6.0042    0.0000 Na  0  3  0  0  0  0           0  0  0
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 20  9  1  6     0  0
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M  CHG  8   1   1   2   1   3   1   4   1   5   1   6   1   7   1   8   1
M  CHG  8  11  -1  99  -1 100  -1 101  -1 102  -1 103  -1 122  -1 123  -1
M  END

$$$$
D0G6ZG
  -OEChem-10101305022D

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    3.4090   -1.0409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6022    2.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6778    1.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223   -3.8191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9374    4.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5854    4.8507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1  0  0  0
  1 39  1  0  0  0  0
  8  2  1  6  0  0  0
  2 40  1  0  0  0  0
 17  3  1  1  0  0  0
  3 43  1  0  0  0  0
 18  4  1  6  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  2  0  0  0  0
 11 24  2  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  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 22  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 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 25  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 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D0G7IF
  -OEChem-04152110492D

 51 53  0     0  0  0  0  0  0999 V2000
   13.0115    2.5695    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2697   -2.1219    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1549    2.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2228   -2.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1409    0.8423    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.7098   -0.1334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854    0.7448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0888   -0.8210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1437    0.7676    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6802   -0.2108    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9898   -0.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2123    0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1878   -0.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5888    1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5888    1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0227    2.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9904    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0888   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0199    2.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3102    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548   -2.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5832    1.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3353    0.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4538    3.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6050   -0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5804    1.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4510    3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9248   -1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0143    2.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499   -1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548   -3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1277   -0.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4918   -2.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3142    0.9605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525    0.8922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1045    3.7586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2094   -1.0163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7200    3.8796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075   -2.2038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4918   -3.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3 17  2  0  0  0  0
  4 20  2  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  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 39  1  0  0  0  0
 14 40  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 19  2  0  0  0  0
 18 21  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
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 26  1  0  0  0  0
 22 25  2  0  0  0  0
 22 27  1  0  0  0  0
 23 34  2  0  0  0  0
 23 43  1  0  0  0  0
 24 28  1  0  0  0  0
 24 44  1  0  0  0  0
 25 29  1  0  0  0  0
 25 45  1  0  0  0  0
 26 30  2  0  0  0  0
 26 46  1  0  0  0  0
 27 31  2  0  0  0  0
 27 47  1  0  0  0  0
 28 32  2  0  0  0  0
 29 33  2  0  0  0  0
 30 32  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
 34 50  1  0  0  0  0
 34 51  1  0  0  0  0
M  CHG  4   5  -1   7  -1  10   1  11   1
M  END

$$$$
D0G7MM
  -OEChem-04152111112D

 81 84  0     1  0  0  0  0  0999 V2000
    2.0000    0.3445    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2961    5.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2961    3.4510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8583    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 39 67  1  0  0  0  0
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 40 43  2  0  0  0  0
 40 69  1  0  0  0  0
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 41 70  1  0  0  0  0
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 49 50  1  0  0  0  0
 49 79  1  0  0  0  0
 49 80  1  0  0  0  0
M  END

$$$$
D0G7MV
  -OEChem-04152109532D

 38 39  0     0  0  0  0  0  0999 V2000
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 24 37  1  0  0  0  0
M  END

$$$$
D0G8CU
  -OEChem-03141904462D

 48 51  0     0  0  0  0  0  0999 V2000
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 26 48  1  0  0  0  0
M  END

$$$$
D0G8UY
  -OEChem-04152111232D

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 10  4  1  1  0  0  0
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 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

$$$$
D0G9AW
  -OEChem-10191523092D

 52 57  0     0  0  0  0  0  0999 V2000
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 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 52  1  0  0  0  0
M  END

$$$$
D0G9FL
  -OEChem-10101305022D

 45 42  0     1  0  0  0  0  0999 V2000
    6.7997    2.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.0676    1.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.6657    3.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    7.6657    2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2997    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5676    1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0676    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    3.9936    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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 11 44  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  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   5  -1
M  END

$$$$
D0G9XP
  -OEChem-10101305032D

 70 72  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0GC5H
  -OEChem-10111523362D

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M  END

$$$$
D0GD4Q
  -OEChem-04152110162D

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 35 83  1  0  0  0  0
M  END

$$$$
D0GE5B
  -OEChem-10191522582D

 50 51  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0GG7L
  -OEChem-03141904462D

 59 61  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0GG9P
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M  END

$$$$
D0GH3Q
  -OEChem-10191522562D

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 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END

$$$$
D0GH7L
  -OEChem-03141904512D

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M  END

$$$$
D0GJ7B
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0GK4E
  -OEChem-10101305032D

 44 45  0     0  0  0  0  0  0999 V2000
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 11 26  1  0  0  0  0
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 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END

$$$$
D0GL7H
  MDL     03120710462D 1   1.00000     0.00000     0

 42 45  0     1  0            999 V2000
   -0.4500  -11.2792    0.0000 N   0  0  0  0  0  0           0  0  0
    0.1667  -12.3542    0.0000 N   0  0  0  0  0  0           0  0  0
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   -0.4500  -12.0000    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.3000  -10.1625    0.0000 N   0  0  0  0  0  0           0  0  0
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 10  8  1  0     0  0
 11 13  1  0     0  0
 12 11  1  0     0  0
 13 27  1  0     0  0
 14 12  1  0     0  0
 15 16  1  0     0  0
 16 10  1  0     0  0
 17 28  1  0     0  0
 18  7  2  0     0  0
 19  8  2  0     0  0
 20 13  2  0     0  0
 21 14  2  0     0  0
 22 15  2  0     0  0
 23 30  1  0     0  0
 24  5  1  0     0  0
 25  9  2  0     0  0
 26  6  1  0     0  0
 27 39  1  0     0  0
 28 35  2  0     0  0
 29 34  1  0     0  0
 30 18  1  0     0  0
 31 23  1  0     0  0
 32 14  1  0     0  0
 33 15  1  0     0  0
 34 31  2  0     0  0
 35 31  1  0     0  0
 36 12  2  0     0  0
 37 11  2  0     0  0
 16 38  1  1     0  0
 39 40  1  0     0  0
 40 38  1  0     0  0
 41 37  1  0     0  0
 42 41  2  0     0  0
  3  4  2  0     0  0
 25 18  1  0     0  0
 17 29  2  0     0  0
 36 42  1  0     0  0
M  END

$$$$
D0GM6E
  -OEChem-04152111292D

 93 93  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0GP1O
  -OEChem-03141904502D

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M  END

$$$$
D0GP8P
  -OEChem-04152109392D

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 53 95  1  0  0  0  0
M  END

$$$$
D0GP9Q
  -OEChem-02051508382D

 72 77  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0GR1Y
  -OEChem-03141904462D

 59 63  0     1  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  2  0  0  0  0
 14  4  1  6  0  0  0
  4 16  1  0  0  0  0
 15  5  1  6  0  0  0
  5 20  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
 21  7  1  6  0  0  0
  7 33  1  0  0  0  0
  8 32  1  0  0  0  0
  8 34  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 25  1  0  0  0  0
 18 26  1  6  0  0  0
 19 36  1  6  0  0  0
 20 23  1  0  0  0  0
 20 37  1  1  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 39  1  1  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  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
 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 29  2  0  0  0  0
 27 32  1  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 34  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 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  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  CHG  4   2   1   3   1  11  -1  12  -1
M  END

$$$$
D0GS2W
          02101000062D 1   1.00000     0.00000     0

 47 53  0     1  0            999 V2000
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    1.3042   -1.8708    0.0000 N   0  0  3  0  0  0           0  0  0
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    2.0162   -0.6292    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.0174   -3.1042    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.8542    0.2000    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.9458   -2.0792    0.0000 O   0  0  0  0  0  0           0  0  0
    5.4833   -1.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5333    0.1583    0.0000 C   0  0  0  0  0  0           0  0  0
  9 10  2  0     0  0
 21 22  2  0     0  0
 22 19  1  0     0  0
 23 24  2  0     0  0
 10  5  1  0     0  0
  5  4  1  0     0  0
  3 11  1  6     0  0
 11 12  1  0     0  0
  1  2  1  0     0  0
 23 28  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 12 13  2  0     0  0
 16 29  1  0     0  0
  5  6  2  0     0  0
 29 30  1  0     0  0
 13 14  1  0     0  0
 30 31  2  0     0  0
 31 32  1  0     0  0
 14 15  2  0     0  0
 32 33  2  0     0  0
  6  7  1  0     0  0
 33 34  1  0     0  0
 15 16  1  0     0  0
 34 35  2  0     0  0
 35 30  1  0     0  0
  1  4  1  0     0  0
 25 36  1  1     0  0
 33 36  1  0     0  0
 16 17  2  0     0  0
  2 37  1  0     0  0
 17 12  1  0     0  0
 10 38  1  0     0  0
  7  8  2  0     0  0
 15 39  1  0     0  0
  7 18  1  0     0  0
 39 40  1  0     0  0
  2  3  1  0     0  0
 26 41  1  0     0  0
 18 19  1  0     0  0
  9 42  1  0     0  0
  8  9  1  0     0  0
 42 43  1  0     0  0
 19 20  2  0     0  0
 22 44  1  0     0  0
 20 24  1  0     0  0
  8 45  1  0     0  0
  3  6  1  0     0  0
 45 46  1  0     0  0
 23 21  1  0     0  0
 44 47  1  0     0  0
M  END

$$$$
D0GV0Q
  -OEChem-04152109112D

 47 50  0     1  0  0  0  0  0999 V2000
    8.6651    2.5068    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1464   -1.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    0.4480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7432   -0.7480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2465    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7658   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5802    0.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    2.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8834    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9827    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
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  1 16  1  0  0  0  0
  2 25  1  0  0  0  0
  3 30  1  0  0  0  0
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 11  8  1  6  0  0  0
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 20 23  1  0  0  0  0
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 25 28  1  0  0  0  0
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 26 44  1  0  0  0  0
 28 30  2  0  0  0  0
 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
M  END

$$$$
D0GW8X
  -OEChem-03141904472D

 48 51  0     1  0  0  0  0  0999 V2000
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   12.1098   -0.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7559    1.3398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1298   -3.1391    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
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M  END

$$$$
D0GX2W
  -OEChem-06062108562D

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M  END

$$$$
D0GX3L
  -OEChem-04152122292D

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 27 52  1  0  0  0  0
M  END

$$$$
D0GY0O
          01280517592D 1   1.00000     0.00000     0

 37 39  0     1  0            999 V2000
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 26 14  1  0     0  0
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 29 34  1  0     0  0
 30 26  1  0     0  0
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 36 32  1  0     0  0
 37 36  2  0     0  0
 11 18  1  0     0  0
 20 14  1  0     0  0
 35 37  1  0     0  0
M  END

$$$$
D0GY1Y
  -OEChem-04152111142D

167169  0     0  0  0  0  0  0999 V2000
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 67164  1  0  0  0  0
 68165  1  0  0  0  0
 68166  1  0  0  0  0
 68167  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$
D0H0FX
  -OEChem-04152111102D

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   10.2164    1.1533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3676   -1.4273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0224   -2.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0224   -3.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2165   -3.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6674   -2.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8713   -1.4273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1350    2.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8650    4.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 38  1  0  0  0  0
 20  2  1  1  0  0  0
  2 67  1  0  0  0  0
 26  3  1  1  0  0  0
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 36 40  1  0  0  0  0
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 39 41  2  0  0  0  0
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 40 78  1  0  0  0  0
 41 45  1  0  0  0  0
 41 79  1  0  0  0  0
 42 46  2  0  0  0  0
 42 80  1  0  0  0  0
 43 44  1  0  0  0  0
 43 81  1  0  0  0  0
 43 82  1  0  0  0  0
 44 47  1  0  0  0  0
 44 83  1  0  0  0  0
 44 84  1  0  0  0  0
 45 48  2  0  0  0  0
 45 85  1  0  0  0  0
 46 48  1  0  0  0  0
 46 86  1  0  0  0  0
 47 49  1  0  0  0  0
 47 87  1  0  0  0  0
 47 88  1  0  0  0  0
 48 89  1  0  0  0  0
 49 90  1  0  0  0  0
 49 91  1  0  0  0  0
M  CHG  2   8  -1  12   1
M  END

$$$$
D0H0KH
  -OEChem-03141904522D

 56 60  0     1  0  0  0  0  0999 V2000
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    6.5467   -5.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8994    5.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    4.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    6.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    4.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    5.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2 17  2  0  0  0  0
  3 26  1  0  0  0  0
  3 29  1  0  0  0  0
 10  4  1  1  0  0  0
  4 14  1  0  0  0  0
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  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 24  1  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 27  3  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
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  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 34  2  0  0  0  0
 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

$$$$
D0H0YD
  -OEChem-03141904512D

 64 67  0     1  0  0  0  0  0999 V2000
   10.8722    1.1660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
 11  2  1  6  0  0  0
 12  3  1  6  0  0  0
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 16  4  1  1  0  0  0
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 10 11  1  0  0  0  0
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 10 34  1  1  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
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 14 37  1  0  0  0  0
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 15 23  1  1  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 21  1  0  0  0  0
 17 24  1  1  0  0  0
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 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
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 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 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  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
 24 51  1  0  0  0  0
 24 52  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 30  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 30  1  0  0  0  0
 28 59  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END

$$$$
D0H1AY
  -OEChem-10111523112D

 44 47  0     1  0  0  0  0  0999 V2000
    4.2600   -1.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4626   -2.9515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495    0.7949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2037   -3.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260   -2.1029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4717   -4.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0357   -4.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0920   -1.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9717   -4.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2945   -3.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012   -0.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353   -0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7083   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765    0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4836    1.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247    2.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9318    2.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    2.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    3.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    3.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    4.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2443   -4.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1450   -1.4882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6270   -4.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9348   -5.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8288   -1.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8858   -3.8968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0472    5.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878    5.5163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8494    4.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 13  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 23  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 27  1  0  0  0  0
  6 28  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 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  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 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 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
 15 16  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 38  1  0  0  0  0
 18 21  2  0  0  0  0
 18 39  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 40  1  0  0  0  0
 21 41  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

$$$$
D0H1EA
  -OEChem-10191523072D

 37 37  0     0  0  0  0  0  0999 V2000
    7.2373    2.5136    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.3459   -0.1545    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.8748    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6485   -1.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5657    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5352   -2.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9086   -1.1838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2665    0.0763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -1.5136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    0.0252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.2349    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    5.3122   -0.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5974    0.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6517   -0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6942   -0.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -2.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6028   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9722   -1.7823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0500    1.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1232   -2.5136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3117   -1.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0913   -1.2054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4538    1.4794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2881    2.2591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8 16  1  0  0  0  0
  8 25  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  2  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 20  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  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 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  CHG  2   6  -1  12   1
M  END

$$$$
D0H1NL
  -OEChem-10101305022D

 52 53  0     1  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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  1  8  2  0  0  0  0
  1 28  1  0  0  0  0
 10  2  1  6  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
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 10 20  1  0  0  0  0
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 13 35  1  0  0  0  0
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 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 21 25  1  0  0  0  0
 21 40  1  0  0  0  0
 22 26  2  0  0  0  0
 22 41  1  0  0  0  0
 23 27  1  0  0  0  0
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 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 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 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END

$$$$
D0H1OL
  -OEChem-04152108422D

 33 35  0     1  0  0  0  0  0999 V2000
    7.3435    0.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8055    1.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    2.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681    1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3924    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  6  0  0  0
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 13  3  1  6  0  0  0
  3 28  1  0  0  0  0
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  4 30  1  0  0  0  0
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 12  6  1  1  0  0  0
  6 16  1  0  0  0  0
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  7 18  1  0  0  0  0
  8 16  1  0  0  0  0
  8 20  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 31  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
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 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  1  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  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
M  END

$$$$
D0H1UK
  -OEChem-03141904462D

 33 35  0     1  0  0  0  0  0999 V2000
    2.0000   -0.2493    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    0.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5504    3.0755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0974    2.9700    0.0000 O   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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 11  3  1  6  0  0  0
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 12  5  1  1  0  0  0
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 10 11  1  0  0  0  0
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 13 24  1  0  0  0  0
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 16 20  3  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D0H1WC
  -OEChem-04152111252D

 56 59  0     1  0  0  0  0  0999 V2000
    2.9785    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  1  1  6  0  0  0
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 18 36  1  0  0  0  0
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 23 24  1  0  0  0  0
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 26 45  1  0  0  0  0
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 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

$$$$
D0H2DS
  -OEChem-08301509472D

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M  END

$$$$
D0H2HZ
  -OEChem-04152110502D

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M  END

$$$$
D0H2IO
  -OEChem-10101305032D

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 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
M  END

$$$$
D0H2NI
  -OEChem-04152111132D

 73 75  0     1  0  0  0  0  0999 V2000
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M  CHG  2   6  -1   8   1
M  END

$$$$
D0H2RJ
  -OEChem-10101305032D

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M  END

$$$$
D0H2UB
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M  END

$$$$
D0H3HV
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M  END

$$$$
D0H3UR
  -OEChem-03141904462D

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M  END

$$$$
D0H4DR
  -OEChem-04152111222D

 68 71  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0H4IP
          10201000072D 1   1.00000     0.00000     0

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M  END

$$$$
D0H4IU
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M  END

$$$$
D0H5BC
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 10  3  1  0     0  0
 11  6  2  0     0  0
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 14  4  1  0     0  0
 15 13  3  0     0  0
 16  9  1  0     0  0
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 19  2  2  0     0  0
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 21 16  1  0     0  0
  8 22  1  1     0  0
  1 23  1  1     0  0
  4 24  1  1     0  0
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  3 26  1  6     0  0
  5 27  1  6     0  0
 12 10  2  0     0  0
  5  4  1  0     0  0
 17  6  1  0     0  0
 18 11  1  0     0  0
M  END

$$$$
D0H5HO
  -OEChem-10101305032D

 51 54  0     1  0  0  0  0  0999 V2000
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 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
M  END

$$$$
D0H5HZ
          02201001112D 1   1.00000     0.00000     0

 21 23  0     1  0            999 V2000
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 10 11  2  0     0  0
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 13  5  1  6     0  0
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 19 20  1  0     0  0
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 20 21  1  0     0  0
 10  9  1  0     0  0
M  END

$$$$
D0H5IZ
  -OEChem-04152110452D

413440  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0H5JW
  -OEChem-04152109342D

 26 26  0     1  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
M  END

$$$$
D0H5WM
  -OEChem-04152111052D

 68 70  0     0  0  0  0  0  0999 V2000
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 37 38  2  0  0  0  0
 37 66  1  0  0  0  0
 38 67  1  0  0  0  0
M  END

$$$$
D0H6AG
  -OEChem-10191521152D

 74 76  0     1  0  0  0  0  0999 V2000
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 13  6  1  6  0  0  0
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 35  8  1  1  0  0  0
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 33 60  1  0  0  0  0
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 36 71  1  0  0  0  0
 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
M  END

$$$$
D0H7AR
  SciTegic11061218562D

 29 33  0  0  0  0            999 V2000
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  2 13  1  0
  3  5  1  0
  4  1  1  0
  5  2  2  0
  6  1  1  0
  6  7  1  1
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  9  2  1  0
 10  7  1  0
 11  9  2  0
 12  8  1  0
 13 10  1  0
 14  7  2  0
 15  1  1  0
 16 12  2  0
 17  8  2  0
 18  6  1  0
 19 15  1  0
 20  9  1  0
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 28 26  1  0
 29 27  1  0
 18 19  1  0
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 25 29  2  0
 11  3  1  0
 23 28  2  0
M  ENDM  END

$$$$
D0H7FW
  -OEChem-10121502002D

 67 70  0     1  0  0  0  0  0999 V2000
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   10.5869   -2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 37 67  1  0  0  0  0
M  END

$$$$
D0H7GQ
  -OEChem-04152109342D

 64 67  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0H7PW
  -OEChem-10111523492D

 40 42  0     0  0  0  0  0  0999 V2000
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 21 40  1  0  0  0  0
M  END

$$$$
D0H7QU
  -OEChem-04152110452D

 92 99  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0H7XJ
  -OEChem-04152111182D

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M  END

$$$$
D0H7XL
  -OEChem-04152110172D

 52 56  0     0  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

$$$$
D0H8FY
  -OEChem-10101305032D

 63 65  0     1  0  0  0  0  0999 V2000
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 11  9  1  6  0  0  0
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 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  END

$$$$
D0H8OA
  -OEChem-04152111222D

 69 71  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0H8OH
          11040800062D 1   1.00000     0.00000     0

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M  END

$$$$
D0H8WZ
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M  END

$$$$
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M  END

$$$$
D0H9DA
  -OEChem-04152111362D

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

$$$$
D0H9FR
  -OEChem-03141904472D

 68 71  0     0  0  0  0  0  0999 V2000
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 23 25  2  0  0  0  0
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 24 28  2  0  0  0  0
 25 53  1  0  0  0  0
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 28 55  1  0  0  0  0
 30 34  1  0  0  0  0
 31 33  2  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  2  0  0  0  0
 35 58  1  0  0  0  0
 36 60  1  0  0  0  0
 36 61  1  0  0  0  0
 36 62  1  0  0  0  0
 37 63  1  0  0  0  0
 37 64  1  0  0  0  0
 37 65  1  0  0  0  0
 38 66  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
M  END

$$$$
D0H9HT
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
    4.2690   -1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7500    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
    3.4030   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -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
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  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 35  1  0  0  0  0
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  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 16  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6 18  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7 19  1  0  0  0  0
  7 26  3  0  0  0  0
  8 25  3  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 17  2  0  0  0  0
 13 21  1  0  0  0  0
 13 27  1  0  0  0  0
 14 22  1  0  0  0  0
 14 28  1  0  0  0  0
 15 23  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 17 24  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 21 31  1  0  0  0  0
 22 24  2  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  CHG  2   7   1  26  -1
M  END

$$$$
D0H9RD
  -OEChem-04152111312D

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 19  1  1  6  0  0  0
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 17  3  1  6  0  0  0
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 10 24  2  0  0  0  0
 10 26  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 21  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 22  1  0  0  0  0
 19 23  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
 22 44  1  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
 23 47  1  0  0  0  0
 25 26  2  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
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  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 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END

$$$$
D0H9SX
  -OEChem-10121501452D

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  1 14  2  0  0  0  0
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  3 10  1  0  0  0  0
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 21 51  1  0  0  0  0
 22 52  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
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END

$$$$
D0H9WR
          06011101002D 1   1.00000     0.00000     0

 39 42  0     1  0            999 V2000
    0.8811   -4.3269    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2936   -3.6101    0.0000 C   0  0  2  0  0  0           0  0  0
    2.1269   -3.6018    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2936   -5.0395    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0519   -4.3269    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5519   -4.3227    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3811   -4.3227    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.3811   -5.7520    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5519   -5.7520    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7936   -7.8937    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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  8  7  2  0     0  0
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 10  9  2  0     0  0
 11 10  1  0     0  0
 11  6  2  0     0  0
 13 12  1  0     0  0
 14 13  2  0     0  0
 15 14  1  0     0  0
 16 15  2  0     0  0
 17 16  1  0     0  0
 17 12  2  0     0  0
 20 19  1  0     0  0
 19 18  1  6     0  0
 22 21  1  0     0  0
 23 22  2  0     0  0
 24 23  1  0     0  0
 25 24  2  0     0  0
 26 25  1  0     0  0
 26 21  2  0     0  0
 28 27  1  0     0  0
 29 28  2  0     0  0
 30 29  1  0     0  0
 31 30  2  0     0  0
 32 31  1  0     0  0
 32 27  2  0     0  0
 21 27  1  0     0  0
 33 34  1  0     0  0
 29 33  1  0     0  0
 19 24  1  0     0  0
 20 35  1  0     0  0
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 20 37  1  0     0  0
 16 18  1  0     0  0
 12 38  1  0     0  0
  9 14  1  0     0  0
  3  6  1  0     0  0
  2 39  1  1     0  0
M  END

$$$$
D0H9YO
  -OEChem-08301509472D

 48 51  0     1  0  0  0  0  0999 V2000
    9.0550    0.4215    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820    2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8831   -0.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7931    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    1.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  1  1  6  0  0  0
  2 14  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 22  1  6  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 15  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 17  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  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
 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
 18 40  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
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 19 44  1  0  0  0  0
 20 21  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
M  END

$$$$
D0HD7C
          12220700062D 1   1.00000     0.00000     0

 33 34  0     0  0            999 V2000
    3.2856   -8.0457    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8515   -7.7211    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.7213   -7.0692    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.1628   -8.0413    0.0000 S   0  3  0  0  0  0           0  0  0
    1.6021   -7.7152    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6037   -7.0704    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0470   -6.7479    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4882   -7.0695    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.0469   -8.0363    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4207   -8.0519    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.0796   -8.0474    0.0000 N   0  0  3  0  0  0           0  0  0
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  2 15  1  0     0  0
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 13 16  1  0     0  0
 16 17  1  0     0  0
  1  2  2  0     0  0
 17 18  1  0     0  0
  5  8  2  0     0  0
 18 19  1  0     0  0
  6  7  2  0     0  0
 19 20  1  0     0  0
  7 10  1  0     0  0
 16 21  1  0     0  0
  9  8  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
  2  3  1  0     0  0
 23 24  1  0     0  0
  9 10  2  0     0  0
 15 25  1  0     0  0
 25 26  1  0     0  0
 10 11  1  0     0  0
 26 27  1  0     0  0
  3  4  2  0     0  0
 27 28  1  0     0  0
 11 12  2  0     0  0
 15 29  1  0     0  0
  4  6  1  0     0  0
 29 30  1  0     0  0
 12 13  1  0     0  0
 30 31  1  0     0  0
  5  6  1  0     0  0
 31 32  1  0     0  0
 13 14  2  0     0  0
 14  9  1  0     0  0
M  CHG  2   8   1  33  -1
M  END

$$$$
D0HE7C
  -OEChem-04152110502D

 84 88  0     1  0  0  0  0  0999 V2000
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 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
M  END

$$$$
D0HG5M
  -OEChem-10121500512D

 49 50  0     1  0  0  0  0  0999 V2000
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 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D0HI1K
  -OEChem-10101305022D

 57 56  0     0  0  0  0  0  0999 V2000
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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
M  END

$$$$
D0HJ5H
  -OEChem-04152110482D

 59 61  0     0  0  0  0  0  0999 V2000
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 35 56  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  1  0  0  0  0
 36 59  1  0  0  0  0
M  CHG  2   2   1   9  -1
M  END

$$$$
D0HK3N
          02080800402D 1   1.00000     0.00000     0

 36 38  0     1  0            999 V2000
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 16 18  1  0     0  0
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 18 19  1  0     0  0
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 18 20  2  0     0  0
 10  6  1  0     0  0
 19 21  1  0     0  0
 11 26  1  0     0  0
 21 22  1  0     0  0
 22 10  1  0     0  0
  5  1  1  0     0  0
 22 23  2  0     0  0
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 13 24  1  0     0  0
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 14 25  1  0     0  0
 21 26  1  1     0  0
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 26 28  1  0     0  0
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 29 30  2  0     0  0
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 29 31  1  0     0  0
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 16 17  2  0     0  0
 33 34  1  0     0  0
 17 12  1  0     0  0
 34 35  1  0     0  0
  9 36  1  6     0  0
M  END

$$$$
D0HM6B
  -OEChem-03141904542D

274278  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0HO2T
  -OEChem-10111523152D

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  1 19  1  0  0  0  0
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 11 17  2  0  0  0  0
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 13 16  1  0  0  0  0
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 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 16 29  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 23  2  0  0  0  0
 21 25  1  0  0  0  0
 21 32  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 35  1  0  0  0  0
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 23 36  1  0  0  0  0
 24 39  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
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END

$$$$
D0HR7P
  -OEChem-10101305032D

 38 40  0     0  0  0  0  0  0999 V2000
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 11 16  2  0  0  0  0
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 13 24  1  0  0  0  0
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 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D0HS5V
  -OEChem-10121500402D

 46 49  0     1  0  0  0  0  0999 V2000
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   10.8381   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3679   -1.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9720   -0.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7843   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9666    1.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  4  1  6  0  0  0
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 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D0HY9S
  -OEChem-03141904462D

 63 66  0     0  0  0  0  0  0999 V2000
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 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D0HZ2E
  -OEChem-10101305032D

 55 57  0     1  0  0  0  0  0999 V2000
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 25 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

$$$$
D0I0JG
  -OEChem-10191521232D

 29 30  0     0  0  0  0  0  0999 V2000
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 11 21  1  0  0  0  0
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 18 29  1  0  0  0  0
M  END

$$$$
D0I0NU
  -OEChem-04152111012D

 52 54  0     0  0  0  0  0  0999 V2000
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    7.2482    4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5172   -2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   10.4499    2.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 10 22  1  0  0  0  0
 11 17  1  0  0  0  0
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 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  END

$$$$
D0I0UE
  -OEChem-10101305032D

 62 64  0     1  0  0  0  0  0999 V2000
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    3.7320   -3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4598    2.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7705    3.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5854    1.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9774    2.1852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417    1.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0276    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6286    4.0021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7530    4.0495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    3.1739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9413    2.4432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4201    3.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6856    3.6566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0878   -0.9600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634   -1.0074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0108   -0.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -0.2131    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  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2 15  1  0  0  0  0
  2 27  1  0  0  0  0
  5 15  2  0  0  0  0
 10  6  1  1  0  0  0
  6 17  1  0  0  0  0
  7 19  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 25  2  0  0  0  0
  8 26  1  0  0  0  0
  9 30  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  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 13  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
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  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 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 26  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 32  2  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
 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
 32 62  1  0  0  0  0
M  END

$$$$
D0I0XF
  -OEChem-04152110492D

599638  0     1  0  0  0  0  0999 V2000
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365597  1  0  0  0  0
M  END

$$$$
D0I0ZP
  -OEChem-02061504192D

116114  0     0  0  0  0  0  0999 V2000
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 35 39  1  0  0  0  0
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 35100  1  0  0  0  0
 36104  1  0  0  0  0
 36105  1  0  0  0  0
 36106  1  0  0  0  0
 37101  1  0  0  0  0
 37102  1  0  0  0  0
 37103  1  0  0  0  0
 38 41  1  0  0  0  0
 38107  1  0  0  0  0
 38108  1  0  0  0  0
 39 42  1  0  0  0  0
 39109  1  0  0  0  0
 39110  1  0  0  0  0
 41111  1  0  0  0  0
 41112  1  0  0  0  0
 41113  1  0  0  0  0
 42114  1  0  0  0  0
 42115  1  0  0  0  0
 42116  1  0  0  0  0
M  CHG  4   2  -1   3  -1   5   1   6   1
M  END

$$$$
D0I1DW
  -OEChem-04152108572D

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M  END

$$$$
D0I1KQ
  -OEChem-04152110192D

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M  END

$$$$
D0I1OS
  -OEChem-04152111222D

 58 62  0     1  0  0  0  0  0999 V2000
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 31 33  2  0  0  0  0
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 35 56  1  0  0  0  0
 35 57  1  0  0  0  0
 35 58  1  0  0  0  0
M  END

$$$$
D0I1QI
  -OEChem-04152110092D

 47 50  0     0  0  0  0  0  0999 V2000
    7.0673    2.9099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END

$$$$
D0I2FI
  -OEChem-10191521162D

 74 77  0     0  0  0  0  0  0999 V2000
    8.9962    4.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9962    7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6622    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0690   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7490    3.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.5954    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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  7  9  1  0  0  0  0
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  8 10  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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 12 49  1  0  0  0  0
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 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 19  1  0  0  0  0
 15 26  2  0  0  0  0
 16 20  1  0  0  0  0
 16 25  2  0  0  0  0
 17 21  1  0  0  0  0
 17 27  1  0  0  0  0
 18 22  1  0  0  0  0
 18 28  1  0  0  0  0
 19 23  1  0  0  0  0
 19 30  2  0  0  0  0
 20 24  1  0  0  0  0
 20 29  2  0  0  0  0
 21 24  2  0  0  0  0
 21 56  1  0  0  0  0
 22 23  2  0  0  0  0
 22 55  1  0  0  0  0
 25 31  1  0  0  0  0
 25 58  1  0  0  0  0
 26 32  1  0  0  0  0
 26 57  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 59  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 34  1  0  0  0  0
 29 66  1  0  0  0  0
 30 33  1  0  0  0  0
 30 65  1  0  0  0  0
 31 34  2  0  0  0  0
 31 68  1  0  0  0  0
 32 33  2  0  0  0  0
 32 67  1  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
M  CHG  2   1   1   2   1
M  END

$$$$
D0I2GS
  -OEChem-03141904502D

 44 47  0     1  0  0  0  0  0999 V2000
    2.0280    0.3046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    2.3046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.3046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.2342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    6.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289   -6.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7199   -5.7168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.2342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5691   -1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601    0.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601    2.3046    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 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
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  7 11  1  0  0  0  0
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  8 13  1  0  0  0  0
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  9 17  1  0  0  0  0
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  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 10 38  1  0  0  0  0
 11 27  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  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
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  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
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  END

$$$$
D0I2RB
          07131101142D 1   1.00000     0.00000     0

 26 27  0     0  0            999 V2000
   -2.1431   -0.5249    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1443   -1.1356    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6253   -1.4402    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0963   -1.1352    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0992   -0.5212    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6271   -0.2247    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5770   -1.4382    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5757   -2.0466    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0549   -1.1329    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4727   -1.4318    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9990   -1.1307    0.0000 N   0  0  0  0  0  0           0  0  0
    1.5184   -1.4295    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0405   -1.1284    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5681   -1.4315    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0861   -1.1262    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5694   -2.0357    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.6702   -0.2251    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.1929   -0.5211    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7157   -0.2255    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2384   -0.5214    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.7614   -0.2258    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.7619    0.3827    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2839    0.6867    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.8035    0.3823    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.8006   -0.2262    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2779   -0.5221    0.0000 C   0  0  0  0  0  0           0  0  0
 12 13  1  0     0  0
  1  2  2  0     0  0
 13 14  1  0     0  0
  4  7  1  0     0  0
 14 15  2  0     0  0
  3  4  2  0     0  0
 14 16  1  0     0  0
  7  8  1  0     0  0
  1 17  1  0     0  0
 17 18  1  0     0  0
  7  9  2  0     0  0
 18 19  1  0     0  0
  4  5  1  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
 20 21  1  0     0  0
  2  3  1  0     0  0
 21 22  2  0     0  0
 10 11  1  0     0  0
 22 23  1  0     0  0
  5  6  2  0     0  0
 23 24  2  0     0  0
 11 12  1  0     0  0
 24 25  1  0     0  0
  6  1  1  0     0  0
 25 26  2  0     0  0
 26 21  1  0     0  0
M  END

$$$$
D0I2XM
  -OEChem-10101305022D

 74 76  0     1  0  0  0  0  0999 V2000
    3.0000    9.3520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
 43 71  1  0  0  0  0
 44 72  1  0  0  0  0
M  END

$$$$
D0I3LO
  -OEChem-03141904462D

 64 69  0     1  0  0  0  0  0999 V2000
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 11  4  1  1  0  0  0
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 10 39  2  0  0  0  0
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 20 24  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 29  1  0  0  0  0
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 29 32  2  0  0  0  0
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 30 32  1  0  0  0  0
 30 53  1  0  0  0  0
 31 36  3  0  0  0  0
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 40 62  1  0  0  0  0
 40 63  1  0  0  0  0
 40 64  1  0  0  0  0
M  END

$$$$
D0I3RD
  -OEChem-10101305022D

 43 45  0     1  0  0  0  0  0999 V2000
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 27 43  1  0  0  0  0
M  END

$$$$
D0I3TU
          03021100082D 1   1.00000     0.00000     0

 29 32  0     1  0            999 V2000
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 21 24  2  0     0  0
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 27 28  2  0     0  0
 28 21  1  0     0  0
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 26 29  1  0     0  0
M  END

$$$$
D0I3WC
  -OEChem-10121501282D

 53 55  0     1  0  0  0  0  0999 V2000
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 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D0I3YX
  -OEChem-04152122292D

 53 56  0     0  0  0  0  0  0999 V2000
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    3.1215    5.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    4.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0445   -4.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7034   -5.8306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    7.4883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 24  1  0  0  0  0
  3 26  1  0  0  0  0
  4 20  1  0  0  0  0
  4 27  1  0  0  0  0
  5 34  1  0  0  0  0
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  7 24  2  0  0  0  0
  8 18  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 30  3  0  0  0  0
 10 31  3  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  2  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
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 22  2  0  0  0  0
 17 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 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 42  1  0  0  0  0
 27 34  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 32  1  0  0  0  0
 28 45  1  0  0  0  0
 29 33  2  0  0  0  0
 29 46  1  0  0  0  0
 32 35  2  0  0  0  0
 32 49  1  0  0  0  0
 33 35  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
M  END

$$$$
D0I4PW
  -OEChem-03141904512D

 49 52  0     1  0  0  0  0  0999 V2000
    3.3562    1.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2265    4.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0850   -4.6430    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    5.0233   -0.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0882    1.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3005   -1.9003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4902   -3.7288    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1048   -1.2011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9138   -1.7889    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0000   -2.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2196    0.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3061   -2.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    1.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0899    2.8306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9568    3.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010   -2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2248    3.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8237    3.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4583    4.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4553    2.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8896   -2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4845   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734   -1.0243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6144    3.4408    0.0000 H   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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  2 49  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
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 18  6  1  6  0  0  0
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 15 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
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 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
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 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
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 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  CHG  2   3  -1   8   1
M  END

$$$$
D0I4TH
  -OEChem-10191522572D

 64 67  0     1  0  0  0  0  0999 V2000
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    8.4530   -5.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -3.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8067   -1.2008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  1  0  0  0
  2 51  1  0  0  0  0
  3 20  2  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
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  5 18  1  0  0  0  0
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  6 13  1  0  0  0  0
  6 23  2  0  0  0  0
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  7 23  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  1  0  0  0  0
  8 53  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  6  0  0  0
  9 33  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  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 13  1  0  0  0  0
 12 36  1  0  0  0  0
 15 17  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 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  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 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 24  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
 23 52  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 54  1  0  0  0  0
 26 30  1  0  0  0  0
 26 55  1  0  0  0  0
 27 31  2  0  0  0  0
 27 56  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 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  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
M  END

$$$$
D0I4ZN
  -OEChem-04152111262D

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 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
M  END

$$$$
D0I5BN
          11070801452D 1   1.00000     0.00000     0

 26 29  0     0  0            999 V2000
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 13 14  1  0     0  0
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 20 21  2  0     0  0
 10  5  1  0     0  0
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 23 24  1  0     0  0
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 24 25  2  0     0  0
 25 20  1  0     0  0
  8 20  1  1     0  0
  7 12  1  1     0  0
 23 26  1  0     0  0
M  END

$$$$
D0I5DP
  -OEChem-03141904472D

 83 88  0     1  0  0  0  0  0999 V2000
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 42 81  1  0  0  0  0
 42 82  1  0  0  0  0
 42 83  1  0  0  0  0
M  END

$$$$
D0I5IM
  -OEChem-04152109402D

 57 59  0     0  0  0  0  0  0999 V2000
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 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

$$$$
D0I5OR
  -OEChem-08301509482D

 33 34  0     1  0  0  0  0  0999 V2000
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 10  2  1  1  0  0  0
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 11  3  1  1  0  0  0
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 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D0I5TL
  -OEChem-10191522542D

 32 34  0     0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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 11 27  1  0  0  0  0
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 17 29  1  0  0  0  0
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 18 30  1  0  0  0  0
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 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D0I5XU
  SciTegic02101214292D

 33 36  0  0  0  0            999 V2000
   -2.7039    1.0717    0.0000 C   0  0
   -2.2914    0.3572    0.0000 C   0  0
   -1.5769    0.7697    0.0000 C   0  0
   -0.8624    0.3572    0.0000 C   0  0
   -0.1480    0.7697    0.0000 C   0  0
   -2.2914    1.7862    0.0000 O   0  0
   -3.5289    1.0717    0.0000 N   0  0
   -3.0059   -0.0553    0.0000 C   0  0
   -3.7203    0.3572    0.0000 C   0  0
   -4.4348   -0.0553    0.0000 C   0  0
   -4.4348   -0.8803    0.0000 C   0  0
   -3.7203   -1.2928    0.0000 C   0  0
   -3.0059   -0.8803    0.0000 C   0  0
   -1.8789   -0.3572    0.0000 C   0  0
   -2.2914   -1.0717    0.0000 C   0  0
   -1.8789   -1.7862    0.0000 C   0  0
   -1.0539   -1.7862    0.0000 C   0  0
   -0.6414   -1.0717    0.0000 C   0  0
   -1.0539   -0.3572    0.0000 C   0  0
    0.5665    0.3572    0.0000 N   0  0
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    1.5769   -0.2261    0.0000 C   0  0
    1.3634    0.5708    0.0000 C   0  0
    2.2914   -0.6386    0.0000 O   0  0
    3.0059   -0.2261    0.0000 C   0  0
    3.7203   -0.6386    0.0000 C   0  0
    4.4348    0.5989    0.0000 C   0  0
    3.7203    1.0114    0.0000 C   0  0
    3.0059    0.5989    0.0000 C   0  0
   -0.7313    1.3531    0.0000 C   0  0
    0.2645    1.4842    0.0000 C   0  0
    4.4348   -0.2261    0.0000 C   0  0
    5.1493   -0.6386    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  1  6  2  0
  1  7  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
  8 13  2  0
  2  8  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 14 19  2  0
  2 14  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 20 23  1  0
 25 26  1  0
 26 32  2  0
 32 27  1  0
 27 28  2  0
 28 29  1  0
 25 29  2  0
 24 25  1  0
 22 24  1  0
  5 20  1  0
  5 30  1  0
  5 31  1  0
 32 33  1  0
M  ENDM  END

$$$$
D0I6LH
  -OEChem-10101305022D

 50 56  0     1  0  0  0  0  0999 V2000
    5.1353    0.2473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    1.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1353    3.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.7477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185   -3.6153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591   -4.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.2477    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.2850   -0.2938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.0913   -3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  1  1  6  0  0  0
  1  9  1  0  0  0  0
  8  2  1  6  0  0  0
  2 13  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
 14  4  1  6  0  0  0
  4 40  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
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  7 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 27  1  1  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
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 11 14  1  0  0  0  0
 11 18  1  6  0  0  0
 12 28  1  6  0  0  0
 13 16  1  0  0  0  0
 13 29  1  1  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 31  1  1  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  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 24  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
 19 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
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 22 26  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
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 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
M  END

$$$$
D0I6VU
  -OEChem-10121500412D

 68 74  0     0  0  0  0  0  0999 V2000
    3.4026    4.1084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    5.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.7366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9674   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  2  0  0  0  0
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 31 34  2  0  0  0  0
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 37 66  1  0  0  0  0
 38 39  2  0  0  0  0
 38 67  1  0  0  0  0
 39 68  1  0  0  0  0
M  END

$$$$
D0I6YM
  -OEChem-10101305032D

 52 53  0     0  0  0  0  0  0999 V2000
    2.0933   -2.1799    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    7.5772    4.6921    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6843   -0.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471    1.6680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471    4.6680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9901   -0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    0.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9411   -0.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810   -1.3709    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.1810    1.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720   -0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471    2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.0934    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4764   -1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9131    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -3.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9131    4.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -4.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8070    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -4.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    4.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8070    4.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    4.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6162   -1.9875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -1.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4297    0.2709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    0.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    1.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705    1.0603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7824   -0.2282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    1.3580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8269   -1.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -0.2793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4437    0.1187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699   -1.6292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3474   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0828   -1.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -4.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441    2.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -2.8865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -5.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7999    2.0133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1196   -4.6059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441    4.4780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7999    5.3226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2488    2.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 28  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 36  1  0  0  0  0
  5 21  2  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  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 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 12  2  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 17  2  0  0  0  0
 13 19  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  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
 16 42  1  0  0  0  0
 17 21  1  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 25  2  0  0  0  0
 19 45  1  0  0  0  0
 20 24  1  0  0  0  0
 20 46  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 27  2  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
 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
M  CHG  3   1   2  10  -1  14  -1
M  END

$$$$
D0I6ZO
  -OEChem-04152111242D

 49 52  0     1  0  0  0  0  0999 V2000
    2.0000    0.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -5.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -5.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0359    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2320   -0.8301    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7320    0.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5359    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
    3.5731    5.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1589    5.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -3.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -3.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -4.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8925    0.6348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8309   -0.9906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.1761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    0.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.2986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0115    4.8046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0115    5.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205    5.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205    4.8046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3044    6.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    6.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.6185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.9282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.9282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.6185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.1436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.1436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -2.0201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -2.0201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -3.6401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -3.6401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -5.9501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -5.0201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 24  2  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 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 24  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  1  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  6  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 12  1  0  0  0  0
  9 29  1  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 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 18  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  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 21  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  2  0  0  0  0
 20 45  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 24  1  0  0  0  0
M  END

$$$$
D0I7BU
  -OEChem-04152111342D

 36 37  0     1  0  0  0  0  0999 V2000
    3.7320    2.4239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.4239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    3.4239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -4.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0570   -2.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -3.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9239    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
    5.4641    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9239    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
    3.4184   -1.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2158   -2.1632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345   -1.7652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  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 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  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
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  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 19  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 22  1  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
M  END

$$$$
D0I7IB
  -OEChem-10101305032D

 14 12  0     0  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   -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
    6.3301    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
    5.0656   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    0.2131    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
    6.0201    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  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
  6 14  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D0I7MT
  -OEChem-04152110372D

 50 53  0     1  0  0  0  0  0999 V2000
    5.1350   -1.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3914    3.9221    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
  1 14  1  0  0  0  0
 10  2  1  1  0  0  0
  2 38  1  0  0  0  0
 11  3  1  6  0  0  0
  3 39  1  0  0  0  0
 13  4  1  1  0  0  0
  4 40  1  0  0  0  0
  5 16  1  0  0  0  0
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 10 31  1  0  0  0  0
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 12 33  1  1  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
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 14 35  1  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
 16 37  1  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
 19 22  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 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 44  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 46  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D0I7MX
  -OEChem-04152111042D

 69 72  0     1  0  0  0  0  0999 V2000
    6.7701    3.4386    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 15  7  1  1  0  0  0
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 10 38  2  0  0  0  0
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 31 35  2  0  0  0  0
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 35 64  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 65  1  0  0  0  0
M  END

$$$$
D0I8DH
  -OEChem-04152111332D

 80 83  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0I8FV
  -OEChem-10101305032D

 52 54  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0I8HJ
  -OEChem-10191521162D

 34 36  0     1  0  0  0  0  0999 V2000
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 22 34  1  0  0  0  0
M  END

$$$$
D0I8KA
  -OEChem-03141904492D

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244252  1  0  0  0  0
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251259  1  0  0  0  0
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313591  1  0  0  0  0
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325618  1  0  0  0  0
325619  1  0  0  0  0
325620  1  0  0  0  0
M  CHG  2  13  -1  66   1
M  END

$$$$
D0I8QS
  -OEChem-04152109402D

 50 50  0     0  0  0  0  0  0999 V2000
    3.8243    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    6.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0320    3.0664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1350    7.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    3.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1350    7.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350    7.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4443    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2269    4.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7550    8.1073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.7273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150    8.1073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    6.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7550    7.1073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8660    5.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    2.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 50  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 44  1  0  0  0  0
  4 20  1  0  0  0  0
  4 22  2  0  0  0  0
  5 23  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
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  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
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  9 12  2  0  0  0  0
 11 19  2  0  0  0  0
 11 24  1  0  0  0  0
 12 19  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
 13 28  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 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
 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 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D0I9GR
  -OEChem-10121501542D

 64 67  0     1  0  0  0  0  0999 V2000
    7.0468   -0.9827    0.0000 F   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
    5.3147    4.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9913   -0.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    4.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.9827    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.0468    2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0029   -4.0174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090   -2.4619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.0228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3769   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.5173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1090   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1090   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7788   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9128   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0029   -1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090   -3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7731   -4.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9003   -1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2988   -2.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -1.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.8973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2429   -4.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 64  1  0  0  0  0
M  END

$$$$
D0I9HG
          01220800062D 1   1.00000     0.00000     0

 26 27  0     0  0            999 V2000
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 26 11  1  0     0  0
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  5  3  1  0     0  0
M  END

$$$$
D0ID3W
          12171000442D 1   1.00000     0.00000     0

 28 30  0     1  0            999 V2000
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 20 22  1  0     0  0
 26 27  2  0     0  0
M  END

$$$$
D0IE9L
  -OEChem-04152108502D

 68 73  0     0  0  0  0  0  0999 V2000
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 30 32  1  0  0  0  0
 31 62  1  0  0  0  0
 32 64  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 37 39  2  0  0  0  0
 37 65  1  0  0  0  0
 38 39  1  0  0  0  0
 38 68  1  0  0  0  0
M  END

$$$$
D0IJ0U
  -OEChem-10101305022D

 60 62  0     1  0  0  0  0  0999 V2000
    5.4641   -3.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5950    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
    6.3301   -5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -4.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -4.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -4.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.5950    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
    5.4641   -1.0950    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
    4.5981    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    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
    2.8660    1.4050    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
    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
    3.7320    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9050    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
    2.0000    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3342   -2.1700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -4.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -4.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.4050    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
    2.8660   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    5.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    4.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  8  2  1  1  0  0  0
  2 39  1  0  0  0  0
  9  3  1  6  0  0  0
  3 40  1  0  0  0  0
 11  4  1  1  0  0  0
  4 41  1  0  0  0  0
  5 14  1  0  0  0  0
  5 45  1  0  0  0  0
  6 16  1  0  0  0  0
  6 23  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  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
 10 13  1  0  0  0  0
 10 33  1  1  0  0  0
 11 12  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  0  0  0  0
 13 16  2  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  2  0  0  0  0
 15 38  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  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 24  2  0  0  0  0
 22 25  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 26  1  0  0  0  0
 24 52  1  0  0  0  0
 25 27  2  0  0  0  0
 25 53  1  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 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 29 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

$$$$
D0IJ7O
  -OEChem-04152109372D

 44 47  0     1  0  0  0  0  0999 V2000
    6.0678    0.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.3419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    1.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -1.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5194    1.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075    1.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -0.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -1.1581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7998   -1.1581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0678   -0.1581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9338   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738   -1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6938   -1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6938    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5998   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5998   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5310   -1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5310    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037    0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748   -1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748   -0.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0743   -2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933   -2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5353   -2.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3323   -2.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7802   -2.1717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784   -2.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2892   -2.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0874   -2.1717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6693    1.3169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5238   -2.3558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2334    1.4349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155    1.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105   -1.5126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105    0.1965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334   -0.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    1.7358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
  1 36  1  0  0  0  0
  2 15  2  0  0  0  0
  3 17  1  0  0  0  0
  3 38  1  0  0  0  0
  4 18  1  0  0  0  0
  4 39  1  0  0  0  0
  5 20  2  0  0  0  0
  6 24  1  0  0  0  0
  6 44  1  0  0  0  0
  7 25  2  0  0  0  0
  8 25  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  6  0  0  0
 11 15  1  0  0  0  0
 11 17  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 18  2  0  0  0  0
 14 20  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  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
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 23 26  2  0  0  0  0
 23 37  1  0  0  0  0
 24 27  2  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

$$$$
D0IK5F
  -OEChem-10191522562D

 18 18  0     0  0  0  0  0  0999 V2000
    2.0000    0.9050    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 N   0  3  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
    4.5981   -0.5950    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
    4.5981    0.4050    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    0.4050    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
    5.4641   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7150    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
    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 11  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  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 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END

$$$$
D0IL3O
  -OEChem-02061503542D

 10  8  0     0  0  0  0  0  0999 V2000
    4.5981   -1.0000    0.0000 Sr  0  2  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
    4.5981    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    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
    2.8660    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
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  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
  6 10  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D0IQ0Z
  -OEChem-10121501552D

 71 75  0     0  0  0  0  0  0999 V2000
    2.0000   -1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5845   -2.2816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2722    2.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2722    2.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722   -2.4769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0IQ1V
  -OEChem-04152111292D

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M  END

$$$$
D0IT7F
  -OEChem-03141904532D

 73 72  0     1  0  0  0  0  0999 V2000
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 41 64  1  0  0  0  0
M  END

$$$$
D0IV4C
  -OEChem-10191523012D

 36 37  0     1  0  0  0  0  0999 V2000
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   11.1972    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 11  2  0  0  0  0
  6  3  1  1  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4 17  2  0  0  0  0
  4 22  1  0  0  0  0
  5 20  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 10  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 12  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
 10 29  1  0  0  0  0
 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
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
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 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  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
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D0IV7Z
  -OEChem-04152111202D

 46 49  0     1  0  0  0  0  0999 V2000
    7.8916    2.4772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0550   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0520   -1.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9774    1.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3243    1.0332    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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 25 41  1  0  0  0  0
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 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  END

$$$$
D0IX1I
  -OEChem-04152110122D

 52 54  0     1  0  0  0  0  0999 V2000
    2.8602    0.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2685    2.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0424    1.7726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5243   -0.2726    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7243   -0.2517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6304   -1.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6304    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -1.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
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 17 21  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
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 20 21  2  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 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  END

$$$$
D0IX4B
  -OEChem-04152109342D

 51 55  0     0  0  0  0  0  0999 V2000
   13.6965    1.1135    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3830    3.6918    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 28 46  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 48  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

$$$$
D0IZ1A
  -OEChem-04152109382D

 54 56  0     1  0  0  0  0  0999 V2000
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 18 40  1  0  0  0  0
 20 22  2  0  0  0  0
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 26 45  1  0  0  0  0
 27 29  1  0  0  0  0
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 27 47  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
M  END

$$$$
D0IZ8X
  -OEChem-04152110492D

 43 45  0     0  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
    8.9282   -3.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5622   -1.9440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END

$$$$
D0J0JT
  -OEChem-04152111082D

 43 46  0     1  0  0  0  0  0999 V2000
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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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 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
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 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END

$$$$
D0J0RG
          01210517112D 1   1.00000     0.00000     0

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

$$$$
D0J1AV
  -OEChem-10101305022D

 63 65  0     1  0  0  0  0  0999 V2000
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 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D0J1CL
  -OEChem-02051508422D

 44 45  0     1  0  0  0  0  0999 V2000
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   10.0757    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0665    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3296    7.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    8.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 22  1  0  0  0  0
  3 28  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 44  1  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 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 19  2  0  0  0  0
  9 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  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  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  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 21  2  0  0  0  0
 16 34  1  0  0  0  0
 17 24  2  0  0  0  0
 17 25  1  0  0  0  0
 18 23  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 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
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END

$$$$
D0J1GR
  -OEChem-10191522552D

 62 67  0     0  0  0  0  0  0999 V2000
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   11.7630   -3.4386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0492    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2423   -0.6021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1632    2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7745   -2.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909    3.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143   -1.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6463   -1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9259   -0.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6578   -0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8092    0.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9153    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7153    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4524    1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9153    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1832    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7153    2.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4094    1.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7631    0.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8092    2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7416    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0492    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0988    1.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1832    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2141   -0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3341    3.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    3.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.1911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852    1.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770    2.6574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1838    3.1897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3078   -2.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8516   -2.5338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2581   -1.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3050   -1.8140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6956   -2.5088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    3.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5188    4.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7843    3.8826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2671   -1.0635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8766   -0.3687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7206   -0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3141   -1.0294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2963   -3.7548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2225   -3.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2510    0.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2510    2.4287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3490    0.0013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8020    3.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9276    2.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0492    3.2158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6756   -0.8070    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 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  2  0  0  0  0
  6 23  1  0  0  0  0
  6 25  1  0  0  0  0
  6 33  1  0  0  0  0
  7 28  1  0  0  0  0
  7 33  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 13  1  0  0  0  0
  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 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 40  1  0  0  0  0
 13 45  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 43  1  0  0  0  0
 14 44  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 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 20 24  1  0  0  0  0
 20 54  1  0  0  0  0
 21 26  2  0  0  0  0
 21 29  1  0  0  0  0
 22 27  1  0  0  0  0
 22 30  1  0  0  0  0
 23 32  1  0  0  0  0
 24 27  2  0  0  0  0
 24 55  1  0  0  0  0
 25 28  2  0  0  0  0
 25 31  1  0  0  0  0
 26 28  1  0  0  0  0
 26 56  1  0  0  0  0
 27 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 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
M  END

$$$$
D0J1HB
  -OEChem-03141904472D

 26 28  0     1  0  0  0  0  0999 V2000
    2.0000   -0.4654    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146    0.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5504    2.8595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083    1.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.2701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.2898    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5443   -0.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    1.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8578    1.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4550   -0.3122    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 10  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 22  1  0  0  0  0
  5 11  1  0  0  0  0
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  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
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  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 11  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 21  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 17  1  0  0  0  0
 17 26  1  0  0  0  0
M  END

$$$$
D0J1NQ
  -OEChem-10101305022D

 74 76  0     1  0  0  0  0  0999 V2000
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    8.4421    2.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3139   11.5365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1459   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5728   12.5024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8362   13.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7788   10.2933    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.6459   10.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119   11.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9867    9.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2436    8.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8641    4.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5040    6.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1241    5.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859    4.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258    5.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3321    4.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889    3.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7968    2.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1852    3.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5447   10.7184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2230   13.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  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 67  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  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
M  CHG  2   2  -1   7   1
M  END

$$$$
D0J2RV
  -OEChem-04152110452D

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 33  7  1  6  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

$$$$
D0J2VB
  -OEChem-10101305032D

111110  0     1  0  0  0  0  0999 V2000
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 42100  1  0  0  0  0
 43 44  1  0  0  0  0
 44 46  1  0  0  0  0
 44102  1  0  0  0  0
 44103  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46104  1  0  0  0  0
 47108  1  0  0  0  0
 47109  1  0  0  0  0
 47110  1  0  0  0  0
 48105  1  0  0  0  0
 48106  1  0  0  0  0
 48107  1  0  0  0  0
M  END

$$$$
D0J3BY
  -OEChem-04152108442D

 13 11  0     0  0  0  0  0  0999 V2000
    1.5860    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
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    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
    3.1350    3.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    1.9399    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  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  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
M  CHG  2   1  -1   2   1
M  END

$$$$
D0J3CT
  -OEChem-10101305022D

 89 93  0     0  0  0  0  0  0999 V2000
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    9.2136    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -4.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2171   -1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -1.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1957   -1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    6.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    4.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5493   -0.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9030   -0.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    3.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    0.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -4.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1456    3.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5708   -0.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8600    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8635   -2.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2781   -5.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -1.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6908   -1.8175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4484   -2.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3353    4.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0030   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0J3SU
  -OEChem-10191521152D

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M  END

$$$$
D0J4LI
  -OEChem-04152108482D

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M  END

$$$$
D0J4MY
  -OEChem-10101305022D

103103  0     1  0  0  0  0  0999 V2000
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 44100  1  0  0  0  0
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 44102  1  0  0  0  0
M  END

$$$$
D0J4PB
  -OEChem-04152111172D

 67 68  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0J4XV
  -OEChem-03141904462D

 33 35  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0J4YV
  -OEChem-02061504252D

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M  END

$$$$
D0J5ED
          07070900352D 1   1.00000     0.00000     0

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M  END

$$$$
D0J5HR
  -OEChem-04152122312D

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 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D0J5UK
  -OEChem-02031521042D

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 39 73  1  0  0  0  0
 39 74  1  0  0  0  0
M  END

$$$$
D0J6AB
  -OEChem-10121501502D

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 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END

$$$$
D0J6AU
  -OEChem-10101305022D

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 36 61  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  END

$$$$
D0J6II
  -OEChem-10111523512D

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 29 31  2  0  0  0  0
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 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
M  END

$$$$
D0J6KZ
  -OEChem-04152111252D

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 28 56  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D0J6LN
  -OEChem-10121501282D

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M  END

$$$$
D0J6RV
  -OEChem-04152111282D

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 15 24  2  0  0  0  0
 15 25  1  0  0  0  0
 17 27  1  0  0  0  0
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 21 30  2  0  0  0  0
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 23 33  2  0  0  0  0
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 25 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 33  1  0  0  0  0
 31 36  1  0  0  0  0
 31 55  1  0  0  0  0
 32 37  2  0  0  0  0
 32 56  1  0  0  0  0
 33 54  1  0  0  0  0
 34 35  2  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
 36 39  2  0  0  0  0
 36 59  1  0  0  0  0
 37 39  1  0  0  0  0
 37 60  1  0  0  0  0
 38 61  1  0  0  0  0
 38 62  1  0  0  0  0
 38 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

$$$$
D0J6UA
  -OEChem-04152111362D

 40 41  0     1  0  0  0  0  0999 V2000
    3.4030   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114   -0.8047    0.0000 N   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
    6.8671    1.0000    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
    9.4651    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9950    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7220    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2656    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590    1.0369    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
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   11.6150   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3113    1.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9146    2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1327    1.9479    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 40  1  0  0  0  0
  2 13  2  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
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  8  9  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 23  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 14  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 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 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 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
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  ISO  5  27   2  28   2  30   2  31   2  32   2
M  END

$$$$
D0J6XC
  -OEChem-10191521162D

 30 31  0     0  0  0  0  0  0999 V2000
    5.4641    0.5950    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5950    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5950    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    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
    7.1962    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4050    0.0000 O   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
    3.7320    0.5950    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
    4.5981   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9050    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
  2 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
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  8 11  2  0  0  0  0
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 10 18  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
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 15 16  2  0  0  0  0
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 16 19  1  0  0  0  0
 16 26  1  0  0  0  0
 17 20  2  0  0  0  0
 17 27  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
M  END

$$$$
D0J7EH
  -OEChem-10101305032D

 41 43  0     1  0  0  0  0  0999 V2000
    2.0000    3.0981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.1279    2.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.9028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -2.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -3.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.2933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -1.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1279   -3.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1648   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1279   -3.7181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7479   -3.0981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1279   -2.4781    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  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
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  5 24  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 26  1  0  0  0  0
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 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  2  0  0  0  0
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 13 21  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 20 22  2  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 23  1  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
 24 38  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
M  END

$$$$
D0J7ML
  -OEChem-04152108562D

 87 87  0     1  0  0  0  0  0999 V2000
   16.5000    2.0311    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.5000    2.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000    2.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5000    3.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5000    3.7631    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   20.3660    4.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6340    5.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3660    5.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0000    2.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5000    5.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0000    2.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000    2.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 85  1  0  0  0  0
 32 86  1  0  0  0  0
 32 87  1  0  0  0  0
M  CHG  1   6   1
M  END

$$$$
D0J7QU
  -OEChem-10121500122D

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 35 76  1  0  0  0  0
M  END

$$$$
D0J8DD
  -OEChem-04152111252D

 49 52  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  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
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 25 26  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

$$$$
D0J8PI
  -OEChem-10101305022D

191196  0     1  0  0  0  0  0999 V2000
   10.6157   -3.6548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0J8RR
  -OEChem-10101305032D

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 18 41  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 21  1  0  0  0  0
 21 44  1  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
M  END

$$$$
D0J8WE
  SciTegic11201309402D

 49 52  0  0  1  0            999 V2000
    0.8625    0.7583    0.0000 C   0  0  1  0  0  0
    0.8542    1.5833    0.0000 O   0  0
    0.1417    1.1708    0.0000 C   0  0  2  0  0  0
    3.0042   -1.3042    0.0000 C   0  0
    1.5750   -0.4792    0.0000 C   0  0
    2.2875   -1.7167    0.0000 O   0  0
    2.2875   -0.0667    0.0000 O   0  0
    3.7167   -1.7167    0.0000 C   0  0
    1.5750    1.1708    0.0000 C   0  0  2  0  0  0
    5.1417   -0.0667    0.0000 N   0  0
    5.8625   -1.3042    0.0000 C   0  0
    1.5750   -1.3042    0.0000 C   0  0  1  0  0  0
    5.1417   -1.7167    0.0000 N   0  0
    5.8625   -0.4792    0.0000 C   0  0  1  0  0  0
    2.2875    0.7583    0.0000 C   0  0  2  0  0  0
    5.1417    0.7583    0.0000 C   0  0
    4.4292   -1.3042    0.0000 C   0  0
    8.7125   -0.4792    0.0000 C   0  0
   -0.5708    0.7583    0.0000 C   0  0
    6.5750   -0.0667    0.0000 C   0  0
    3.0042   -0.4792    0.0000 O   0  0
    0.8625   -0.0667    0.0000 O   0  0
    4.4292    1.1708    0.0000 C   0  0
    8.7167   -1.3042    0.0000 C   0  0
    8.0000   -0.0667    0.0000 C   0  0
    6.5750   -1.7167    0.0000 O   0  0
    3.7167    0.7583    0.0000 C   0  0
    7.2917   -0.4792    0.0000 C   0  0
    0.8625   -1.7167    0.0000 C   0  0
    5.8625    1.1708    0.0000 O   0  0
    8.0000   -1.7167    0.0000 C   0  0
    9.4250   -0.0625    0.0000 Cl  0  0
    7.2875   -1.3042    0.0000 C   0  0
    3.0042    1.1708    0.0000 C   0  0
    3.1292   -2.3000    0.0000 C   0  0
    4.3000   -2.3000    0.0000 C   0  0
    9.4250   -1.7167    0.0000 O   0  0
    1.5750    1.9958    0.0000 C   0  0
    0.8625   -2.5417    0.0000 C   0  0
   -0.5708   -0.0625    0.0000 C   0  0
   -1.2833    1.1708    0.0000 C   0  0
   10.1375   -1.3042    0.0000 C   0  0
    1.5750   -2.9542    0.0000 C   0  0
    0.1417   -2.9542    0.0000 C   0  0
   -1.9958    0.7583    0.0000 C   0  0
   -1.2833   -0.4792    0.0000 C   0  0
   -1.9958   -0.0667    0.0000 C   0  0
    3.1532    0.2577    0.0000 H   0  0
    1.3576    1.6271    0.0000 H   0  0
  1  2  1  0
  3  1  1  0
  4  6  1  0
  5  7  1  0
  6 12  1  0
 15  7  1  0
  8  4  1  0
  9  1  1  0
 10 16  1  0
 11 14  1  0
 12  5  1  0
 13 11  1  0
 14 10  1  0
 15  9  1  0
 16 23  1  0
 17  8  1  0
 18 25  2  0
  3 19  1  1
 14 20  1  6
 21  4  2  0
 22  5  2  0
 23 27  2  0
 24 31  2  0
 25 28  1  0
 26 11  2  0
 27 34  1  0
 28 20  1  0
 12 29  1  1
 30 16  2  0
 31 33  1  0
 32 18  1  0
 33 28  2  0
 34 15  1  0
 35  8  1  0
 36  8  1  0
 37 24  1  0
  9 38  1  1
 39 29  1  0
 40 19  1  0
 41 19  2  0
 42 37  1  0
 43 39  1  0
 44 39  1  0
 45 41  1  0
 46 40  2  0
 47 45  2  0
  3  2  1  0
 46 47  1  0
 17 13  1  0
 18 24  1  0
 15 48  1  1
  1 49  1  1
M  ENDM  END

$$$$
D0J8YA
  SciTegic11301210262D

 23 12  0  0  0  0            999 V2000
   -0.8000   -1.3042    0.0000 S   0  0
    3.6792   -1.3042    0.0000 P   0  0
    8.0542   -1.3042    0.0000 P   0  0
   -1.4083   -1.6542    0.0000 O   0  5
   -0.1958   -1.6542    0.0000 O   0  5
   -0.4500   -0.6875    0.0000 O   0  0
   -1.1583   -0.6875    0.0000 O   0  0
    4.2875   -1.6542    0.0000 O   0  5
    3.0667   -1.6542    0.0000 O   0  5
    7.4417   -1.6542    0.0000 O   0  5
    4.0292   -0.6875    0.0000 O   0  0
    8.4042   -0.6875    0.0000 O   0  0
   -1.9083    0.4250    0.0000 Cl  0  5
    0.8167    0.4250    0.0000 Cl  0  5
    3.3250   -0.6875    0.0000 O   0  0
    8.6625   -1.6542    0.0000 O   0  0
    7.7000   -0.6875    0.0000 O   0  0
   -0.0083    0.4250    0.0000 K   0  3
   -2.8750   -1.6542    0.0000 Mg  0  2
    2.0375   -1.6542    0.0000 Na  0  3
   -2.8333    0.4250    0.0000 Na  0  3
    5.0917   -1.6542    0.0000 Na  0  3
    6.6500   -1.6542    0.0000 K   0  3
  4  1  1  0
  5  1  1  0
  6  1  2  0
  7  1  2  0
  8  2  1  0
  9  2  1  0
 10  3  1  0
 11  2  2  0
 12  3  2  0
 15  2  1  0
 16  3  1  0
 17  3  1  0
M  CHG  8   4  -1   5  -1   8  -1   9  -1  10  -1  13  -1  14  -1  18   1
M  CHG  5  19   2  20   1  21   1  22   1  23   1
M  END

$$$$
D0J9IH
  -OEChem-04152109302D

 57 59  0     1  0  0  0  0  0999 V2000
    6.7916   -1.2069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1544   -1.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0019    0.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    1.9668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    0.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3890    4.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7864    3.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3944   -4.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1544   -4.2326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0204   -2.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4169    0.0283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8865   -4.2326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4884   -2.7118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3944   -2.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4884   -3.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2884   -2.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2884   -3.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1544   -2.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9771   -2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0204   -3.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4110   -0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6046    1.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2014    2.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7990   -1.7282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0008   -1.7190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0246   -1.7351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2276   -1.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4016   -4.8872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5574   -2.4226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8865   -4.8526    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
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  5 31  2  0  0  0  0
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  6 57  1  0  0  0  0
  7 32  2  0  0  0  0
  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  8 42  1  0  0  0  0
  9 19  1  0  0  0  0
  9 23  2  0  0  0  0
 10 21  1  0  0  0  0
 10 23  1  0  0  0  0
 10 43  1  0  0  0  0
 27 11  1  6  0  0  0
 11 28  1  0  0  0  0
 11 51  1  0  0  0  0
 12 23  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 13 16  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  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 19  2  0  0  0  0
 17 21  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
 20 22  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  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 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END

$$$$
D0J9PT
  -OEChem-10101305032D

 50 54  0     1  0  0  0  0  0999 V2000
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    8.1821    1.7350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    2.2384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9065    3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6501    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1720    4.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9041    4.3617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446    3.4338    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 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3 28  2  0  0  0  0
  4 28  1  0  0  0  0
  4 49  1  0  0  0  0
  4 50  1  0  0  0  0
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  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 32  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D0JB3H
  -OEChem-04152110492D

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 38 40  1  0  0  0  0
 40 82  1  0  0  0  0
 40 83  1  0  0  0  0
 40 84  1  0  0  0  0
M  END

$$$$
D0JF6C
  -OEChem-03141904492D

 40 42  0     0  0  0  0  0  0999 V2000
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 29 37  1  0  0  0  0
 30 40  1  0  0  0  0
M  END

$$$$
D0JI2E
          09040800062D 1   1.00000     0.00000     0

 32 35  0     0  0            999 V2000
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M  END

$$$$
D0JI8B
  -OEChem-04152110172D

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M  END

$$$$
D0JN5N
  -OEChem-10121501432D

 42 44  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

$$$$
D0JT5I
  -OEChem-10191521162D

 53 56  0     0  0  0  0  0  0999 V2000
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 29 33  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D0JU5X
  -OEChem-04152110492D

 80 84  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0JW7D
          04160800112D 1   1.00000     0.00000     0

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M  END

$$$$
D0JY2X
          01260701002D 1   1.00000     0.00000     0

 26 27  0     0  0            999 V2000
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 11 23  2  0     0  0
M  END

$$$$
D0K0GF
  -OEChem-10101305032D

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M  END

$$$$
D0K0IM
  -OEChem-04152111282D

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 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  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
 34 58  1  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
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 36 65  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
 37 68  1  0  0  0  0
M  END

$$$$
D0K0IS
          05020700212D 1   1.00000     0.00000     0

 58 62  0     1  0            999 V2000
    7.6044  -14.8881    0.0000 *   0  0  0  0  0  0           0  0  0
    5.6631  -14.5333    0.0000 N   0  0  0  0  0  0           0  0  0
    6.2752  -14.8875    0.0000 C   0  0  2  0  0  0           0  0  0
    6.8913  -14.5333    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8913  -13.8250    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2752  -15.5958    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8913  -15.9500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8913  -16.6583    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5034  -17.0125    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2752  -17.0125    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7645  -14.5310    0.0000 N   0  0  0  0  0  0           0  0  0
    2.4307  -14.8851    0.0000 C   0  0  2  0  0  0           0  0  0
    3.0469  -14.5310    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0469  -13.8226    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.4307  -17.0101    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0889  -14.8857    0.0000 *   0  0  0  0  0  0           0  0  0
    3.7600  -14.8857    0.0000 N   0  0  0  0  0  0           0  0  0
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    4.9869  -14.8869    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.9889  -12.7619    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.4000   -7.9917    0.0000 C   0  0  0  0  0  0           0  0  0
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 22 23  1  0     0  0
 23  2  1  0     0  0
 23 24  2  0     0  0
 22 25  1  1     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 11 12  1  0     0  0
 27 29  2  0     0  0
  4  1  1  0     0  0
 12 13  1  0     0  0
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 28 30  1  0     0  0
 12 15  1  6     0  0
 30 31  1  0     0  0
 15 16  1  0     0  0
 31 32  1  0     0  0
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 17 18  1  0     0  0
 17 19  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  3  6  1  6     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  8 10  2  0     0  0
 20 11  1  0     0  0
 13 21  1  0     0  0
 21 22  1  0     0  0
 37 40  1  0     0  0
 38 36  1  0     0  0
 39 37  2  0     0  0
 40 36  1  0     0  0
 41 38  1  0     0  0
 42 38  2  0     0  0
 43 45  1  0     0  0
 35 39  1  0     0  0
 44 41  2  0     0  0
 45 36  1  0     0  0
 46 48  1  0     0  0
 47 37  1  0     0  0
 48 47  1  0     0  0
 49 43  2  0     0  0
 50 44  1  0     0  0
 51 40  2  0     0  0
 52 49  1  0     0  0
 53 46  2  0     0  0
 54 50  2  0     0  0
 55 52  2  0     0  0
 56 54  1  0     0  0
 57 55  1  0     0  0
 43 41  1  0     0  0
 42 39  1  0     0  0
 50 52  1  0     0  0
 35 46  1  0     0  0
 57 56  2  0     0  0
 34 58  1  0     0  0
M  STY  2   1 SRU   2 SRU
M  SLB  2   1   1   2   2
M  SCN  2   1 HT    2 HT
M  SAL   1  9  11  12  13  14  15  16  17  18  19
M  SBL   1  2  32  33
M  SDI   1  4    1.3200  -15.1200    1.3200  -14.2900
M  SDI   1  4    3.3000  -14.2900    3.3000  -15.1200
M  SAL   2  9   2   3   4   5   6   7   8   9  10
M  SBL   2  2   2  10
M  SMT   2 p
M  SDI   2  4    5.2200  -15.1200    5.2200  -14.2900
M  SDI   2  4    7.1300  -14.2900    7.1300  -15.1200
M  END

$$$$
D0K0JQ
  -OEChem-10121501462D

 52 55  0     0  0  0  0  0  0999 V2000
    6.8835   -2.4973    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3474   -2.5374    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.5172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3972   -1.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 30  1  0  0  0  0
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 14 20  1  0  0  0  0
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 14 34  1  0  0  0  0
 15 22  2  0  0  0  0
 15 24  1  0  0  0  0
 17 23  2  0  0  0  0
 17 36  1  0  0  0  0
 18 26  2  0  0  0  0
 18 27  1  0  0  0  0
 19 23  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 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 28  1  0  0  0  0
 23 41  1  0  0  0  0
 24 29  2  0  0  0  0
 24 42  1  0  0  0  0
 25 30  2  0  0  0  0
 25 43  1  0  0  0  0
 26 31  1  0  0  0  0
 27 32  2  0  0  0  0
 28 44  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 31 33  2  0  0  0  0
 31 48  1  0  0  0  0
 32 33  1  0  0  0  0
 32 49  1  0  0  0  0
 33 50  1  0  0  0  0
M  END

$$$$
D0K0YC
  -OEChem-10121501482D

 40 41  0     1  0  0  0  0  0999 V2000
   10.3312    3.9050    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0K1EG
  -OEChem-04152111112D

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M  END

$$$$
D0K1EO
          08140700072D 1   1.00000     0.00000     0

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M  END

$$$$
D0K2HA
          04010900062D 1   1.00000     0.00000     0

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 23 22  2  0     0  0
 24 22  2  0     0  0
 22 25  1  0     0  0
 21 22  1  0     0  0
 12 21  1  0     0  0
  5 11  1  0     0  0
M  END

$$$$
D0K2ID
  -OEChem-04152111282D

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M  END

$$$$
D0K2NA
  -OEChem-02041520512D

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   16.3897   14.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8379   15.2440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5362   16.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1402    8.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7372    5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3343    6.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9324    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7383    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1233   14.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7247   13.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9324    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7383    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0062   11.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 40  1  0  0  0  0
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 39 41  1  0  0  0  0
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 45 77  1  0  0  0  0
 46 47  1  0  0  0  0
 46 78  1  0  0  0  0
 47 79  1  0  0  0  0
M  CHG  2   4   1  12  -1
M  END

$$$$
D0K2PS
          01210517092D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
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    9.4542   -2.0750    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  5  2  0     0  0
  5  1  1  0     0  0
  6 14  1  0     0  0
  7  3  2  0     0  0
  8  7  1  0     0  0
  9  1  2  0     0  0
 10 16  1  0     0  0
 11 20  1  0     0  0
 12  8  2  0     0  0
 13 17  2  0     0  0
 14 18  1  0     0  0
 15  6  1  0     0  0
 16 11  1  0     0  0
 17  9  1  0     0  0
 18 11  1  0     0  0
 19  8  1  0     0  0
 20 24  1  0     0  0
 21  5  1  0     0  0
 22 15  1  0     0  0
 23 15  2  0     0  0
 24 25  1  0     0  0
 25 21  1  0     0  0
 26 23  1  0     0  0
 27 22  2  0     0  0
 28 26  2  0     0  0
  2  4  1  0     0  0
  7 13  1  0     0  0
 10  6  2  0     0  0
 28 27  1  0     0  0
M  END

$$$$
D0K2RY
  -OEChem-10121502012D

 77 81  0     1  0  0  0  0  0999 V2000
    8.0000   -0.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 33  1  0  0  0  0
 29 68  1  0  0  0  0
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 30 32  1  0  0  0  0
 30 34  2  0  0  0  0
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 37 74  1  0  0  0  0
 38 39  2  0  0  0  0
 38 75  1  0  0  0  0
 39 76  1  0  0  0  0
M  END

$$$$
D0K2WK
  -OEChem-10101305032D

 30 32  0     1  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D0K2ZF
  -OEChem-10121501462D

 49 51  0     0  0  0  0  0  0999 V2000
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 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END

$$$$
D0K3OK
  -OEChem-03141904542D

102104  0     1  0  0  0  0  0999 V2000
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 48101  1  0  0  0  0
 49102  1  0  0  0  0
M  END

$$$$
D0K3UQ
  -OEChem-10101305022D

 51 53  0     0  0  0  0  0  0999 V2000
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 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  CHG  2   6  -1   8   1
M  END

$$$$
D0K3XS
  -OEChem-04152110402D

780831  0     1  0  0  0  0  0999 V2000
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467766  1  0  0  0  0
467767  1  0  0  0  0
467768  1  0  0  0  0
M  END

$$$$
D0K4FP
  -OEChem-10111523162D

 57 60  0     1  0  0  0  0  0999 V2000
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 19  3  1  6  0  0  0
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 23 27  1  0  0  0  0
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 25 30  2  0  0  0  0
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 26 31  2  0  0  0  0
 26 47  1  0  0  0  0
 27 32  2  0  0  0  0
 27 48  1  0  0  0  0
 28 34  1  0  0  0  0
 29 33  2  0  0  0  0
 29 49  1  0  0  0  0
 30 33  1  0  0  0  0
 30 50  1  0  0  0  0
 31 32  1  0  0  0  0
 32 51  1  0  0  0  0
 34 36  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
 36 55  1  0  0  0  0
 36 56  1  0  0  0  0
 36 57  1  0  0  0  0
M  END

$$$$
D0K4HW
  -OEChem-04152108392D

 39 42  0     0  0  0  0  0  0999 V2000
    8.7204   -1.0891    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

$$$$
D0K4JQ
  -OEChem-04152111252D

110116  0     1  0  0  0  0  0999 V2000
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 58110  1  0  0  0  0
M  END

$$$$
D0K4MU
  SciTegic11301210262D

 28 31  0  0  1  0            999 V2000
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  1  2  1  0
  3  1  1  0
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 10  3  1  0
 15 11  1  0
 12  2  1  0
 13  2  1  0
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 17  5  2  0
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  5  4  1  0
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 17 22  1  0
 26 25  2  0
  4 27  1  6
  1 28  1  6
M  END

$$$$
D0K4OC
  -OEChem-04152110412D

 61 62  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0K4QT
          01210517122D 1   1.00000     0.00000     0

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 10  9  1  0     0  0
 11  4  1  0     0  0
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 15  5  1  0     0  0
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 14 18  1  0     0  0
 31 32  1  0     0  0
M  END

$$$$
D0K5BP
  -OEChem-02061504132D

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M  END

$$$$
D0K5CJ
  -OEChem-04152109012D

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 55 56  2  0  0  0  0
 55111  1  0  0  0  0
 56112  1  0  0  0  0
M  END

$$$$
D0K5HI
  -OEChem-10111523412D

 51 54  0     1  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D0K7DV
  -OEChem-04152121562D

 18 17  0     0  0  0  0  0  0999 V2000
    4.2690    0.5950    0.0000 S   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 16  1  0  0  0  0
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  7 15  1  0  0  0  0
M  END

$$$$
D0K7FT
  -OEChem-04152111302D

 50 52  0     0  0  0  0  0  0999 V2000
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 29 48  1  0  0  0  0
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 31 50  1  0  0  0  0
M  END

$$$$
D0K7FY
  -OEChem-04152111282D

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M  END

$$$$
D0K7OW
          07231000272D 1   1.00000     0.00000     0

 18 20  0     0  0            999 V2000
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  6  8  1  1     0  0
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 17 18  1  0     0  0
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M  END

$$$$
D0K7ZH
  -OEChem-04152111302D

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 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END

$$$$
D0K8DI
  -OEChem-10121501492D

 62 64  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0K8FI
  -OEChem-04152122232D

966975  0     1  0  0  0  0  0999 V2000
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501961  1  0  0  0  0
502503  1  0  0  0  0
502962  1  0  0  0  0
M  END

$$$$
D0K8GD
  -OEChem-03141904542D

 45 44  0     0  0  0  0  0  0999 V2000
    8.4871    4.4650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3100    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
    9.3531    4.9650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6210    3.9650    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9871    5.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9871    3.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.3100    0.0000 N   0  3  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
    4.0010    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0010    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.3100    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
    0.5369    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2191    4.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    6.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3810    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9091    3.9281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7560    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5291    5.0019    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  6  2  0  0  0  0
  1  7  2  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
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  4 23  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 14  2  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
 12 24  1  0  0  0  0
 12 28  1  0  0  0  0
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 13 25  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 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  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
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 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
 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  CHG  2   5  -1   8   1
M  END

$$$$
D0K8NR
  -OEChem-10101305032D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Na  0  4  0  0  0  0  0  0  0  0  0  0
M  RAD  1   1   2
M  END

$$$$
D0K8TI
  -OEChem-10101305022D

 37 40  0     1  0  0  0  0  0999 V2000
    6.1279    4.1739    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    1.1739    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2467   -1.1524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1321   -2.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3081   -4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8958   -3.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.8261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5868   -2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5298   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1279    3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3910   -2.2201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3910    0.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.8261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5309    2.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    2.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5 15  2  0  0  0  0
  6 16  2  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  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
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  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
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  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
 23 25  2  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 26  1  0  0  0  0
 25 37  1  0  0  0  0
M  END

$$$$
D0K8TO
  -OEChem-04152122302D

200207  0     1  0  0  0  0  0999 V2000
    8.0622    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167   -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
   26.2487    1.7500    0.0000 O   0  0  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
   25.3827    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2487    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7128    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0K9DI
  -OEChem-02061503542D

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 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END

$$$$
D0K9IF
  -OEChem-04152111282D

 42 43  0     1  0  0  0  0  0999 V2000
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 19 38  1  0  0  0  0
M  END

$$$$
D0K9OU
          05130900142D 1   1.00000     0.00000     0

 19 20  0     1  0            999 V2000
   -0.5833   -5.7458    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.0572   -6.2756    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3417   -4.1416    0.0000 N   0  0  3  0  0  0           0  0  0
    0.3292   -5.0750    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.2583   -3.7916    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2583   -3.0916    0.0000 N   0  0  0  0  0  0           0  0  0
    0.1167   -5.7458    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2292   -4.6750    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9500   -3.7916    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7917   -5.0750    0.0000 C   0  0  2  0  0  0           0  0  0
    0.9500   -3.0916    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3417   -2.7375    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3875   -4.7125    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8667   -4.1291    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9958   -5.0583    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3417   -2.0416    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9333   -5.4208    0.0000 H   0  0  0  0  0  0           0  0  0
    1.5603   -2.7434    0.0000 I   0  0  0  0  0  0           0  0  0
   -1.4333   -5.4042    0.0000 S   0  0  0  0  0  0           0  0  0
  1  2  1  6     0  0
  4  3  1  0     0  0
  5  3  1  0     0  0
  6  5  1  0     0  0
  7  4  1  0     0  0
  8  4  1  0     0  0
  9  3  1  0     0  0
 10  8  1  0     0  0
  1  7  1  0     0  0
 11  9  2  0     0  0
 12 11  1  0     0  0
 10 13  1  1     0  0
 14  5  2  0     0  0
 15 13  1  0     0  0
 16 12  2  0     0  0
  4 17  1  6     0  0
  6 12  1  0     0  0
 10  1  1  0     0  0
 11 18  1  0     0  0
 10 19  1  0     0  0
M  END

$$$$
D0K9PC
  -OEChem-03141904472D

 40 41  0     1  0  0  0  0  0999 V2000
    7.1962   -3.6830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    0.4510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    2.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.9510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  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 17  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14  8  1  1  0  0  0
  8 20  1  0  0  0  0
  8 30  1  0  0  0  0
 15  9  1  1  0  0  0
  9 21  1  0  0  0  0
  9 31  1  0  0  0  0
 10 20  2  0  0  0  0
 10 21  1  0  0  0  0
 11 21  2  0  0  0  0
 11 22  1  0  0  0  0
 12 20  1  0  0  0  0
 12 22  2  0  0  0  0
 13 23  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 38  1  0  0  0  0
 25 27  1  0  0  0  0
 25 39  1  0  0  0  0
 26 27  2  0  0  0  0
 27 40  1  0  0  0  0
M  END

$$$$
D0K9UK
          01210517072D 1   1.00000     0.00000     0

 28 29  0     0  0            999 V2000
    6.9917   -2.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3917   -3.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3792   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9917   -4.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6125   -2.9750    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6167   -3.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0000   -1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3875   -1.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3792   -0.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7667   -2.6167    0.0000 O   0  0  0  0  0  0           0  0  0
    8.2167   -4.0417    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7667   -0.4917    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0792   -0.4917    0.0000 N   0  0  0  0  0  0           0  0  0
    6.9917   -4.7500    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7667   -4.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9917   -0.4917    0.0000 O   0  0  0  0  0  0           0  0  0
    8.2250   -2.6250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7750   -1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7000   -1.5625    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.4667   -1.5625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3  1  1  0     0  0
  4  6  1  0     0  0
  5  1  2  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  7  2  0     0  0
  9  8  1  0     0  0
 10  3  2  0     0  0
 11  6  2  0     0  0
 12  9  2  0     0  0
 13 20  1  0     0  0
 14  4  1  0     0  0
 15  2  1  0     0  0
 16  9  1  0     0  0
 17  5  1  0     0  0
 18  8  1  0     0  0
 19 23  1  0     0  0
 20 19  2  0     0  0
 21 28  1  0     0  0
 22 14  1  0     0  0
 23 26  1  0     0  0
 24 19  1  0     0  0
 25 18  1  0     0  0
 26 27  1  0     0  0
 27 25  1  0     0  0
 28 24  2  0     0  0
  4  2  2  0     0  0
 21 13  2  0     0  0
M  END

$$$$
D0KD5P
  -OEChem-10101305032D

 36 37  0     0  0  0  0  0  0999 V2000
    6.5856    0.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3988    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
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    2.8660   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5038    3.5099    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 10  2  0  0  0  0
  3  5  1  0  0  0  0
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  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
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  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
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  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
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  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 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 18  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
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D0KE1F
  -OEChem-04152110542D

 30 31  0     1  0  0  0  0  0999 V2000
    5.5202   -1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   -3.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7934   -2.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    0.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7111    3.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -1.2857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.7111   -0.6979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2111   -2.2367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.9511   -0.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451    0.8021    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
  1 12  1  0  0  0  0
 10  2  1  1  0  0  0
  2 25  1  0  0  0  0
  3 13  1  0  0  0  0
  3 27  1  0  0  0  0
  4 16  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 16  1  0  0  0  0
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  7 14  3  0  0  0  0
  8 18  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 11  1  0  0  0  0
  9 14  1  6  0  0  0
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 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
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 12 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 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D0KE4Z
  -OEChem-10191523022D

 59 61  0     1  0  0  0  0  0999 V2000
    8.8030    5.0154    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2870    3.6746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.2154    5.0870    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2126   -2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2164   -0.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8189    0.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8858    5.8290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9574    4.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6952    6.4190    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
  2 34  1  0  0  0  0
  3 33  1  0  0  0  0
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 24  8  1  1  0  0  0
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 25  9  1  1  0  0  0
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 26 19  1  6  0  0  0
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 27 28  1  6  0  0  0
 27 41  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 46  1  0  0  0  0
 31 32  1  0  0  0  0
 35 36  1  0  0  0  0
 35 50  1  0  0  0  0
 35 51  1  0  0  0  0
 36 37  1  0  0  0  0
 36 53  1  0  0  0  0
 36 54  1  0  0  0  0
 37 57  1  0  0  0  0
 37 58  1  0  0  0  0
 37 59  1  0  0  0  0
M  END

$$$$
D0KF3O
          06280800192D 1   1.00000     0.00000     0

 21 21  0     0  0            999 V2000
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   -3.1083   -0.2667    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4917   -0.6208    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8750   -0.2667    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.8517   -0.6311    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2375    0.4375    0.0000 O   0  0  0  0  0  0           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
  9 14  1  0     0  0
  3  4  1  0     0  0
 15 13  1  6     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 15 17  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
 16 18  1  1     0  0
  4  5  1  0     0  0
 18 19  1  0     0  0
  9 10  1  0     0  0
 19 20  1  0     0  0
  2  3  1  0     0  0
 19 21  2  0     0  0
M  ISO  1  14  18
M  END

$$$$
D0KF9Q
  -OEChem-10121501462D

 56 57  0     0  0  0  0  0  0999 V2000
    5.4641    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    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 39  1  0  0  0  0
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 13 34  1  0  0  0  0
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 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
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 28  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 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
 29 47  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
 30 51  1  0  0  0  0
 30 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
M  END

$$$$
D0KI5R
  -OEChem-04152109352D

 87 90  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0KJ2J
  -OEChem-04152111352D

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 29 31  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
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 33 35  2  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
 35 36  1  0  0  0  0
 35 65  1  0  0  0  0
 36 66  1  0  0  0  0
M  END

$$$$
D0KK9D
  -OEChem-03141904482D

 22 23  0     0  0  0  0  0  0999 V2000
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  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 15  2  0  0  0  0
  5 11  1  0  0  0  0
  6 15  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  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  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  1  0  0  0  0
 14 20  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D0KK9E
  -OEChem-10101305032D

 72 73  0     1  0  0  0  0  0999 V2000
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 28 13  1  6  0  0  0
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 31 35  2  0  0  0  0
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 37 38  1  0  0  0  0
 38 70  1  0  0  0  0
 38 71  1  0  0  0  0
 38 72  1  0  0  0  0
M  END

$$$$
D0KL3U
  -OEChem-10101305022D

 52 55  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0KL7C
  SciTegic11301210262D

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M  END

$$$$
D0KN1U
          10081001402D 1   1.00000     0.00000     0

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 19  9  2  0     0  0
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 22  8  2  0     0  0
 23 10  2  0     0  0
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 33 10  1  0     0  0
 34 12  1  0     0  0
 35  8  1  0     0  0
 36 10  1  0     0  0
  4  3  1  0     0  0
M  END

$$$$
D0KQ0C
  -OEChem-04152110052D

 38 39  0     1  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D0KQ7M
  -OEChem-03141904472D

 57 61  0     1  0  0  0  0  0999 V2000
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 10  6  1  6  0  0  0
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 29 30  2  0  0  0  0
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 32 55  1  0  0  0  0
 33 34  1  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
M  END

$$$$
D0KQ8X
  -OEChem-03141904542D

255250  0     1  0  0  0  0  0999 V2000
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135244  1  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   1   5   1   6   1  15  -1  16  -1
M  CHG  4  19  -1  20  -1  32  -1  33  -1
M  END

$$$$
D0KR1N
  -OEChem-02041520582D

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M  END

$$$$
D0KR5K
          01250509592D 1   1.00000     0.00000     0

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 28 23  2  0     0  0
 29 23  1  0     0  0
  3  5  2  0     0  0
 15 14  1  0     0  0
 24 19  2  0     0  0
M  END

$$$$
D0KU4M
  -OEChem-10101305022D

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M  END

$$$$
D0KV6C
  -OEChem-04152111242D

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 23 25  1  0  0  0  0
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 25 46  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D0KW3Z
  SciTegic11201309402D

 34 34  0  0  1  0            999 V2000
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   -2.5833    2.0458    0.0000 C   0  0
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   -0.5583    0.1000    0.0000 C   0  0
   -2.7625   -0.0792    0.0000 C   0  0
    1.3417   -1.4667    0.0000 O   0  0
   -3.0250    2.7750    0.0000 O   0  0
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   -0.6458    2.8708    0.0000 O   0  0
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  2  1  1  0
  3  5  1  0
  4  1  1  0
  7  5  1  6
  6  3  1  0
  7 11  1  0
  7  8  1  0
  4  9  1  1
  6 10  1  1
 11 21  1  0
 12  8  1  0
 13 10  1  0
 14  2  2  0
 15  3  2  0
 16  2  1  0
 17  9  2  0
 18 11  2  0
 19 12  2  0
 20 13  2  0
 21 31  1  0
 22  1  1  0
 23  9  1  0
 16 24  1  1
 25 12  1  0
 26  6  1  0
 27  4  1  0
 28 26  1  0
 29 22  1  0
 30 13  1  0
 31 33  1  0
 32 16  1  0
 33 34  1  0
 34 32  1  0
 27 29  1  0
M  END

$$$$
D0KX7I
  -OEChem-04152111252D

 65 68  0     1  0  0  0  0  0999 V2000
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 26  5  1  6  0  0  0
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 21 52  1  0  0  0  0
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 31 35  1  0  0  0  0
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 34 61  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
 37 62  1  0  0  0  0
 38 63  1  0  0  0  0
M  END

$$$$
D0KX9B
  -OEChem-10101305032D

 21 22  0     1  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  6  7  1  0  0  0  0
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  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END

$$$$
D0L0BX
  -OEChem-10101305032D

 47 49  0     0  0  0  0  0  0999 V2000
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 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D0L0YG
  -OEChem-10111523482D

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 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
M  END

$$$$
D0L1GD
  -OEChem-03141904482D

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    2.4499    2.5305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1244   -7.5101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5313    3.5317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7867    4.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9679   -3.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6350   -4.6161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4712   -2.2045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    6.8035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7389   -0.8416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3970    7.7623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5784    8.0765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2642    7.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3593   -2.4614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2348   -2.5088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2822   -1.6333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0529   -0.5451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6562    0.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8743   -0.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2 19  2  0  0  0  0
  3 20  2  0  0  0  0
  4 45  1  0  0  0  0
  4 47  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 20  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 19  1  0  0  0  0
  7 25  1  0  0  0  0
  7 59  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 75  1  0  0  0  0
  9 36  2  0  0  0  0
 10 13  1  0  0  0  0
 10 41  2  0  0  0  0
 11 43  1  0  0  0  0
 11 45  2  0  0  0  0
 12 41  1  0  0  0  0
 12 46  2  0  0  0  0
 13 46  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 19  1  6  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 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 20  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 24  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 27  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 26  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 28  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 69  1  0  0  0  0
 28 31  1  0  0  0  0
 28 70  1  0  0  0  0
 29 34  2  0  0  0  0
 29 35  1  0  0  0  0
 30 33  2  0  0  0  0
 30 71  1  0  0  0  0
 31 32  2  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 72  1  0  0  0  0
 34 37  1  0  0  0  0
 34 73  1  0  0  0  0
 35 38  2  0  0  0  0
 35 74  1  0  0  0  0
 36 40  1  0  0  0  0
 37 39  2  0  0  0  0
 37 76  1  0  0  0  0
 38 39  1  0  0  0  0
 38 77  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  2  0  0  0  0
 42 44  2  0  0  0  0
 42 78  1  0  0  0  0
 43 79  1  0  0  0  0
 44 45  1  0  0  0  0
 44 80  1  0  0  0  0
 46 81  1  0  0  0  0
 47 49  1  0  0  0  0
 47 50  1  0  0  0  0
 47 82  1  0  0  0  0
 48 83  1  0  0  0  0
 48 84  1  0  0  0  0
 48 85  1  0  0  0  0
 49 89  1  0  0  0  0
 49 90  1  0  0  0  0
 49 91  1  0  0  0  0
 50 86  1  0  0  0  0
 50 87  1  0  0  0  0
 50 88  1  0  0  0  0
M  END

$$$$
D0L1KX
          10130900432D 1   1.00000     0.00000     0

 50 52  0     1  0            999 V2000
    1.0292   -2.4292    0.0000 N   0  0  0  0  0  0           0  0  0
    1.6042   -2.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5996   -1.4333    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1722   -1.1017    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1680   -0.4400    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5923   -0.1140    0.0000 N   0  0  0  0  0  0           0  0  0
    1.0195   -0.4516    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0273   -1.1119    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7405   -4.5382    0.0000 N   0  0  0  0  0  0           0  0  0
    0.7174   -5.1557    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1933   -5.4539    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2340   -5.4618    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.7740   -2.4108    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.2992   -2.7575    0.0000 C   0  0  1  0  0  0           0  0  0
    0.2015   -1.8150    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1987   -2.4202    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2989   -3.3559    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2217   -3.6557    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2220   -4.2611    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.4115   -2.4149    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.9367   -2.0700    0.0000 C   0  0  1  0  0  0           0  0  0
   -4.4360   -3.0108    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.4388   -2.4078    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9364   -1.4649    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4166   -0.5625    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4166   -1.1625    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8963   -1.4625    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3760   -1.1625    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3760   -0.5625    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8963   -0.2625    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3199   -2.4149    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.8450   -2.0700    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3442   -3.0108    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8447   -1.4649    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3470   -2.4078    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3240   -1.1627    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3237   -0.5618    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7987   -0.2553    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8656   -2.4059    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.3908   -2.7509    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.8901   -1.8100    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.8929   -2.4131    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3905   -3.3559    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8709   -4.2584    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8709   -3.6584    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3504   -3.3584    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8301   -3.6584    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8301   -4.2584    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3504   -4.5584    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.5875   -2.4250    0.0000 H   0  0  0  0  0  0           0  0  0
 16  1  1  0     0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
 23 39  1  0     0  0
 24 26  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 25  1  0     0  0
 20 21  1  0     0  0
 21 23  1  0     0  0
 23 22  2  0     0  0
 21 24  1  6     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
 42 31  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
 13 14  1  0     0  0
 31 32  1  0     0  0
 32 35  1  0     0  0
 35 33  2  0     0  0
 32 34  1  6     0  0
 34 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 14 16  1  0     0  0
 16 15  2  0     0  0
 14 17  1  1     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19  9  1  0     0  0
  6  7  1  0     0  0
 35 13  1  0     0  0
  7  8  2  0     0  0
  8  3  1  0     0  0
 43 45  1  0     0  0
 44 45  2  0     0  0
 45 46  1  0     0  0
 46 47  2  0     0  0
 47 48  1  0     0  0
 48 49  2  0     0  0
 49 44  1  0     0  0
 39 40  1  0     0  0
 40 42  1  0     0  0
 42 41  2  0     0  0
 40 43  1  1     0  0
 20 50  1  0     0  0
M  STY  5   1 SUP   2 SUP   3 SUP   4 SUP   5 SUP
M  SLB  5   1   1   2   2   3   3   4   5   5   6
M  SAL   1 11   9  10  11  12  13  14  15  16  17  18  19
M  SBL   1  2   1  38
M  SMT   1 DArg
M  SBV   1  38   -0.5700    0.0000
M  SBV   1   1    0.8300   -0.0100
M  SCL   1 AA
M  SAP   1  2  13  35 Al  16   1 Br
M  SAL   2  8  31  32  33  34  35  36  37  38
M  SBL   2  2  19  38
M  SMT   2 DNle
M  SBV   2  19   -0.5700    0.0000
M  SBV   2  38    0.5700    0.0000
M  SCL   2 AA
M  SAP   2  2  31  42 Al  35  13 Br
M  SAL   3 11  20  21  22  23  24  25  26  27  28  29  30
M  SBL   3  2   5  52
M  SMT   3 DPhe
M  SBV   3   5    0.5800    0.0000
M  SCL   3 AA
M  SAP   3  2  20   0 Al  23  39 Br
M  SAL   4 11  39  40  41  42  43  44  45  46  47  48  49
M  SBL   4  2   5  19
M  SMT   4 DPhe
M  SBV   4   5   -0.5800    0.0000
M  SBV   4  19    0.5700    0.0000
M  SCL   4 AA
M  SAP   4  2  39  23 Al  42  31 Br
M  SAL   5  1  50
M  SBL   5  1  52
M  SMT   5 NH2
M  END

$$$$
D0L1VF
  -OEChem-03141904502D

 37 38  0     0  0  0  0  0  0999 V2000
    7.2785   -3.5173    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817   -3.5173    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    9.0602   -0.4586    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4586    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.5173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7981    2.5173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.5173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    3.5173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    2.0173    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.9282   -2.0102    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0602   -2.5068    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    1.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9321    0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -2.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 25  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  2  0  0  0  0
 14 35  1  0  0  0  0
 15 35  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 21  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
 22 36  1  0  0  0  0
 23 29  2  0  0  0  0
 23 37  1  0  0  0  0
 24 32  1  0  0  0  0
 24 35  1  0  0  0  0
 25 33  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  CHG  4   9   1  10   1  12  -1  14  -1
M  END

$$$$
D0L1VI
          01210517082D 1   1.00000     0.00000     0

 24 23  0     0  0            999 V2000
   -0.5458    0.3000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5458    1.0083    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1583    1.3625    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1583   -0.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0625    1.3708    0.0000 N   0  0  0  0  0  0           0  0  0
    0.0667   -0.0542    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7708    1.0083    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0667   -0.7625    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.7708    0.2958    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6792    1.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6792    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5250   -0.7542    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.3833    1.3625    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -1.7250   -1.7125    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.3833   -1.7125    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.2917   -0.7542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9125   -1.1125    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6792   -1.1125    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5167   -0.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1375   -1.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1292    0.3083    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7500   -0.7542    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4333   -1.7125    0.0000 H   0  0  0  0  0  0           0  0  0
   -1.0875   -1.7125    0.0000 H   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  1  2  0     0  0
  5  2  1  0     0  0
  6  1  1  0     0  0
  7  3  1  0     0  0
  8  6  1  0     0  0
  9  4  1  0     0  0
 10  5  2  0     0  0
 11  6  2  0     0  0
 12 17  1  0     0  0
 13  7  1  0     0  0
 16 18  1  0     0  0
 17 16  1  0     0  0
 18  8  1  0     0  0
 19 12  1  0     0  0
 20 12  1  0     0  0
 21 19  1  0     0  0
 22 20  1  0     0  0
 23 14  1  0     0  0
 24 15  1  0     0  0
 11 10  1  0     0  0
  9  7  2  0     0  0
M  END

$$$$
D0L1YM
  -OEChem-10191523092D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000   -3.3318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.6627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.2614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132    3.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3647    3.7467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4106    2.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951   -0.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 10  2  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  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  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
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  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 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
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D0L1ZM
          06060700072D 1   1.00000     0.00000     0

 25 28  0     1  0            999 V2000
   -0.2069    0.0310    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3276   -0.5897    0.0000 C   0  0  2  0  0  0           0  0  0
    0.8793   -0.5897    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.2069    1.3103    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3276   -1.8690    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4310    0.0310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3276    0.6793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9828    0.0310    0.0000 C   0  0  1  0  0  0           0  0  0
    0.8793   -1.8690    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8793    1.9414    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2621    1.9276    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2069   -2.5172    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4310   -2.5172    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5345   -0.5897    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9828    1.3103    0.0000 C   0  0  2  0  0  0           0  0  0
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   -3.5345   -1.8690    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.6034   -2.4862    0.0000 O   0  0  0  0  0  0           0  0  0
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   -0.2069   -1.0586    0.0000 H   0  0  0  0  0  0           0  0  0
    0.8793    0.5000    0.0000 H   0  0  0  0  0  0           0  0  0
    1.9828   -1.1379    0.0000 H   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  1  0     0  0
  2  6  1  0     0  0
  2  7  1  1     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  4 11  1  1     0  0
  5 12  1  0     0  0
  5 13  2  0     0  0
  6 14  1  0     0  0
  8 15  1  0     0  0
  8 16  1  0     0  0
 13 17  1  0     0  0
 15 18  1  0     0  0
 15 19  1  1     0  0
 16 20  1  0     0  0
 17 21  2  0     0  0
 18 22  2  0     0  0
  9 12  1  0     0  0
 10 15  1  0     0  0
 14 17  1  0     0  0
 18 20  1  0     0  0
  1 23  1  6     0  0
  3 24  1  1     0  0
  8 25  1  6     0  0
M  END

$$$$
D0L2JM
          08041000532D 1   1.00000     0.00000     0

 24 28  0     1  0            999 V2000
    0.1461    0.6399    0.0000 N   0  0  3  0  0  0           0  0  0
    0.5845    2.1718    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2396   -0.5140    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4159    0.2620    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1516    2.5547    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5240    3.3408    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8016   -0.1461    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7760   -2.0458    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8594   -1.2799    0.0000 C   0  0  1  0  0  0           0  0  0
    3.2551    1.3907    0.0000 S   0  0  0  0  0  0           0  0  0
    2.6202    4.0966    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0605    4.8827    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9001   -1.3101    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8745   -3.2148    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8594   -2.8470    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.3834   -2.1012    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5117    5.2505    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.6450   -3.6935    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3912   -3.1695    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3834   -4.2176    0.0000 N   0  0  3  0  0  0           0  0  0
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   -3.9001   -4.6761    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4283   -2.1214    0.0000 H   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
  3  8  1  0     0  0
  9  4  1  1     0  0
  5 10  1  0     0  0
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  6 12  2  0     0  0
  7 13  1  0     0  0
  8 14  2  0     0  0
  9 15  1  0     0  0
  9 16  1  0     0  0
 11 17  2  0     0  0
 13 18  2  0     0  0
 15 19  1  0     0  0
 15 20  1  0     0  0
 16 21  1  0     0  0
 19 22  1  0     0  0
 20 23  1  0     0  0
  7 10  1  0     0  0
 12 17  1  0     0  0
 14 18  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 15 24  1  6     0  0
M  END

$$$$
D0L2UQ
  -OEChem-10121501552D

 56 57  0     0  0  0  0  0  0999 V2000
    4.2690   -3.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1452    1.6086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5453   -2.1081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8560    0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8345    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1289   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1289   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6289   -2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237    1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4773    2.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6289   -2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4343    2.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880    3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1289   -3.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8354    1.0715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8551    0.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4483    0.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7116   -1.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0213   -0.6928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0463   -2.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7366   -2.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9304    2.6449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0948    1.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1442    1.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375    1.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2116   -1.9574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5213   -1.5588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3773    3.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9806    3.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1987    3.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0237    2.5727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6269    3.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8450    2.9579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6659   -2.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 27  1  0  0  0  0
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 10 12  2  0  0  0  0
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 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 21  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 22  1  0  0  0  0
 15 35  1  0  0  0  0
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 16 20  2  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
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 43  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
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  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 25  2  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
M  END

$$$$
D0L2VT
  -OEChem-10101305032D

 37 39  0     0  0  0  0  0  0999 V2000
    8.1465    3.3798    0.0000 I   4  0  0  0  0  0  0  0  0  0  0  0
    4.6497    3.3798    0.0000 I   4  0  0  0  0  0  0  0  0  0  0  0
    9.9282    0.3211    0.0000 I   4  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.3211    0.0000 I   4  0  0  0  0  0  0  0  0  0  0  0
    8.8091    0.2460    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4742   -2.9965    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5625   -1.7956    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3134   -3.3798    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9243    3.3694    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8727    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5891   -0.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -2.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    2.3694    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8680    2.3694    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3981    0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2071   -0.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8981   -1.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8981   -1.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1580    2.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5717   -1.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9423   -2.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    1.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -0.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 28  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 24  1  0  0  0  0
  6 27  1  0  0  0  0
  7 30  1  0  0  0  0
  8 33  1  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 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
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 24  1  0  0  0  0
 18 21  1  0  0  0  0
 18 25  2  0  0  0  0
 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 29  2  0  0  0  0
 22 28  2  0  0  0  0
 24 30  2  0  0  0  0
 25 31  1  0  0  0  0
 25 37  1  0  0  0  0
 26 32  1  0  0  0  0
 26 36  1  0  0  0  0
 27 33  2  0  0  0  0
 28 35  1  0  0  0  0
 29 34  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

$$$$
D0L2YF
          01280517572D 1   1.00000     0.00000     0

 52 61  0     0  0            999 V2000
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    4.2000   -3.0667    0.0000 N   0  0  3  0  0  0           0  0  0
    2.1917   -3.0792    0.0000 N   0  0  3  0  0  0           0  0  0
    4.5750   -2.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5542   -3.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8417   -3.5792    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.3500   -4.1750    0.0000 N   0  0  0  0  0  0           0  0  0
    2.0542   -1.9375    0.0000 N   0  0  0  0  0  0           0  0  0
    2.0667   -4.1667    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7292   -4.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7292   -1.7417    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.1792   -3.4000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2250   -3.3917    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.7917   -1.6167    0.0000 Si  0  0  3  0  0  0           0  0  0
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    6.2917   -2.7292    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.5375   -6.1542    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  2  1  0     0  0
  6  3  1  0     0  0
  7  3  1  0     0  0
  8  4  1  0     0  0
  9  5  1  0     0  0
 10  7  2  0     0  0
 11  6  2  0     0  0
 12  9  2  0     0  0
 13  8  2  0     0  0
 14 11  1  0     0  0
 15 10  1  0     0  0
 16 14  2  0     0  0
 17 15  2  0     0  0
 18  4  2  0     0  0
 19  5  2  0     0  0
 20  6  1  0     0  0
 21  7  1  0     0  0
 22  1  1  0     0  0
 23 12  1  0     0  0
 24 14  1  0     0  0
 25 15  1  0     0  0
 26 13  1  0     0  0
 27  1  1  0     0  0
 28 18  1  0     0  0
 29 19  1  0     0  0
 30 22  1  0     0  0
 31 29  2  0     0  0
 32 28  2  0     0  0
 33 41  1  0     0  0
 34 42  1  0     0  0
 35 20  1  0     0  0
 36 21  1  0     0  0
 37 23  1  0     0  0
 38 26  1  0     0  0
 39 25  1  0     0  0
 40 24  1  0     0  0
 41 30  1  0     0  0
 42 33  1  0     0  0
 43 30  1  0     0  0
 44 30  1  0     0  0
 45 34  1  0     0  0
 46 34  1  0     0  0
 47 36  2  0     0  0
 48 35  2  0     0  0
 49 38  2  0     0  0
 50 39  2  0     0  0
 51 40  2  0     0  0
 52 37  2  0     0  0
 21 20  2  0     0  0
 19 18  1  0     0  0
 17 13  1  0     0  0
 48 47  1  0     0  0
 24 23  2  0     0  0
 16 12  1  0     0  0
 32 31  1  0     0  0
 26 25  2  0     0  0
 50 49  1  0     0  0
 52 51  1  0     0  0
M  END

$$$$
D0L2YR
  -OEChem-04152111342D

 53 57  0     0  0  0  0  0  0999 V2000
   14.2763   -1.0053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    0.2242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2763   -2.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8599   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
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  8 11  1  0  0  0  0
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  9 13  1  0  0  0  0
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 10 14  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 37  1  0  0  0  0
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 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  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 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 49  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 50  1  0  0  0  0
 29 30  2  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0L3DC
  -OEChem-04152111012D

 87 90  0     1  0  0  0  0  0999 V2000
    3.3080   -0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5238   -2.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 45 46  2  0  0  0  0
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 46 87  1  0  0  0  0
M  END

$$$$
D0L3EO
  -OEChem-10101305032D

 59 61  0     1  0  0  0  0  0999 V2000
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 25 27  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  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  CHG  2   3  -1   7   1
M  END

$$$$
D0L3HU
  -OEChem-10101305032D

 65 69  0     1  0  0  0  0  0999 V2000
   10.4048    0.1302    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    1.7502    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4385    2.1130    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2148    0.7166    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0421    2.3366    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -3.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622   -0.9509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0084    0.3538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1962   -1.4509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7202    0.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2122   -2.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8184    0.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4201   -1.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142   -3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -2.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6285    1.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4933   -0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4767   -3.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454   -1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370   -2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1521   -1.7961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9355   -1.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574   -1.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5458   -1.5649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0529   -0.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0529   -0.0362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3028    1.2008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5081    1.5714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1376    0.7767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4302   -3.0728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8214   -2.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169   -3.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7151   -3.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1758    1.6349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015   -0.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9338   -1.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.0491    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 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 25  1  0  0  0  0
 11  6  1  1  0  0  0
  6 53  1  0  0  0  0
  7 31  2  0  0  0  0
  8 35  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
  9 18  1  1  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 37  1  6  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 19  1  0  0  0  0
 12 38  1  1  0  0  0
 13 16  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 41  1  0  0  0  0
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 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  1  0  0  0
 16 45  1  0  0  0  0
 17 21  2  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 22  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 29  2  0  0  0  0
 23 30  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 31  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
 30 33  2  0  0  0  0
 30 60  1  0  0  0  0
 32 34  2  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
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 36 65  1  0  0  0  0
M  END

$$$$
D0L3JI
  -OEChem-10121502032D

 44 47  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    2.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7215    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
    3.7320    1.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    3.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0404    5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0349    5.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7880   -0.1389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.8292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -5.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0171    4.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5804    2.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2393    4.4773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871    5.7879    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
  1 11  1  0  0  0  0
  2  9  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 15  1  0  0  0  0
  3 35  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  2  0  0  0  0
  5 13  2  0  0  0  0
  5 18  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  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  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  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 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  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
 24 44  1  0  0  0  0
M  END

$$$$
D0L3TR
          01290900062D 1   1.00000     0.00000     0

 25 28  0     1  0            999 V2000
   -0.2806   -4.2708    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2818   -4.9815    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3331   -5.3360    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3313   -3.9164    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9425   -4.2672    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9419   -4.9793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5549   -5.3339    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1724   -4.9803    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5561   -3.9097    0.0000 C   0  0  2  0  0  0           0  0  0
    2.1707   -4.2692    0.0000 C   0  0  2  0  0  0           0  0  0
    2.1774   -2.8476    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5567   -3.1995    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7921   -3.2071    0.0000 C   0  0  1  0  0  0           0  0  0
    2.7879   -3.9161    0.0000 C   0  0  1  0  0  0           0  0  0
    3.4609   -4.1392    0.0000 C   0  0  2  0  0  0           0  0  0
    3.8811   -3.5680    0.0000 C   0  0  2  0  0  0           0  0  0
    3.4676   -2.9921    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.8954   -5.3353    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5500   -4.6167    0.0000 H   0  0  0  0  0  0           0  0  0
    2.7833   -4.6208    0.0000 H   0  0  0  0  0  0           0  0  0
    3.6905   -2.3197    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.1625   -3.5583    0.0000 H   0  0  0  0  0  0           0  0  0
    4.5894   -3.5722    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6758   -4.8142    0.0000 O   0  0  0  0  0  0           0  0  0
 10 14  1  0     0  0
 13 11  1  0     0  0
 11 12  1  0     0  0
 13 14  1  0     0  0
  2  3  1  0     0  0
  3  6  2  0     0  0
  1  2  2  0     0  0
  5  9  1  0     0  0
  6  7  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 13  1  0     0  0
  7  8  1  0     0  0
  2 18  1  0     0  0
  8 10  1  0     0  0
  9 19  1  6     0  0
  9 10  1  0     0  0
 14 20  1  6     0  0
  5  4  2  0     0  0
 17 21  1  1     0  0
  4  1  1  0     0  0
 13 22  1  1     0  0
  5  6  1  0     0  0
 10 23  1  1     0  0
 16 24  1  6     0  0
  9 12  1  0     0  0
 15 25  1  6     0  0
M  END

$$$$
D0L4FS
  -OEChem-10111523572D

 30 32  0     0  0  0  0  0  0999 V2000
    6.8671    1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   -1.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
M  END

$$$$
D0L4LX
  -OEChem-10101305032D

 76 79  0     1  0  0  0  0  0999 V2000
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 16  2  1  1  0  0  0
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 22  3  1  1  0  0  0
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 40 41  1  0  0  0  0
 40 75  1  0  0  0  0
 41 76  1  0  0  0  0
M  END

$$$$
D0L4SL
          11060901142D 1   1.00000     0.00000     0

 38 40  0     0  0            999 V2000
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 26  7  1  0     0  0
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 38 33  1  0     0  0
  5  3  1  0     0  0
 18 10  1  0     0  0
  7  8  2  0     0  0
M  END

$$$$
D0L4VI
  -OEChem-10191521162D

 14 13  0     1  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
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  6 10  1  0  0  0  0
M  END

$$$$
D0L5AH
          11280714472D 1   1.00000     0.00000     0

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 10  3  1  0     0  0
 11 15  1  0     0  0
 12  9  1  0     0  0
 13  4  1  0     0  0
 14  3  2  0     0  0
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 17  8  1  0     0  0
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  5 21  1  6     0  0
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 23  6  1  0     0  0
 24  6  1  0     0  0
 25 10  1  0     0  0
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 27 25  2  0     0  0
 28 26  2  0     0  0
 10 12  2  0     0  0
  7  8  1  0     0  0
 28 27  1  0     0  0
 22 17  2  0     0  0
M  ENDM  END

$$$$
D0L5GH
  -OEChem-10121501052D

101106  0     1  0  0  0  0  0999 V2000
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 53 54  2  0  0  0  0
M  END

$$$$
D0L5MF
  -OEChem-04152109182D

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    2.0000    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    1.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -4.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1534   -3.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127   -0.5163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6877   -2.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -1.4455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2362   -2.2467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010   -3.0430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8678    2.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6022    1.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562    1.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 27  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 18  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
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  2  0  0  0  0
 17 33  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 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
 24 39  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
 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  CHG  2   2  -1   8   1
M  END

$$$$
D0L5VS
  -OEChem-10101305022D

 54 56  0     0  0  0  0  0  0999 V2000
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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    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    0.7500    0.0000 C   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
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3600    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9977    2.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -2.7500    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
    1.4631    2.0600    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
    9.0500   -0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8230   -1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -2.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8969   -2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3 24  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 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
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  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
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 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  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
 21 44  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 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 25 48  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 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END

$$$$
D0L5VX
  -OEChem-03141904512D

466468  0     1  0  0  0  0  0999 V2000
    9.9059   24.4621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1445    6.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3898    7.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3127    7.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5561    6.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.9865    7.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5421    4.1275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1498    4.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7168    7.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.0505   14.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8734   11.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3318   17.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   42.1952   15.8771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8425   11.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.4377   13.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0671   15.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6007   24.8192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   25.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5285   27.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6046   30.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520   32.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   26.2177   35.7184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2177   39.7551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   26.6826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.3517   38.2551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   25.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3517   42.2918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0079    5.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   30.4107    5.6260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4195    5.1485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   30.4159    8.6260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6156    5.1395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8662    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1341    0.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.5349    7.9856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9414   11.6950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8049    1.1305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2845   10.1245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5525   10.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0927    7.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2215    9.6350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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226446  1  0  0  0  0
M  END

$$$$
D0L5WA
  -OEChem-08301509492D

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M  END

$$$$
D0L5WD
  Marvin  10201522252D          

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

$$$$
D0L5XG
          07081000082D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
   -5.4496   -0.3094    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.6285   -0.1663    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.0925   -0.8055    0.0000 C   0  0  3  0  0  0           0  0  0
   -4.3755   -1.5794    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.1999   -1.7309    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7292   -1.0917    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.5593   -0.1663    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7430   -0.3094    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.8422    0.6158    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.3759   -1.2180    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6551   -0.8055    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9344   -1.2180    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9344   -2.0472    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6551   -2.4638    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3759   -2.0472    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2178   -0.8055    0.0000 S   0  0  0  0  0  0           0  0  0
   -0.4970   -1.2180    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2279   -0.8055    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9445   -1.2180    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9445   -2.0472    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2279   -2.4638    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4970   -2.0472    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4234   -2.1236    0.0000 N   0  0  3  0  0  0           0  0  0
    2.9852   -2.7431    0.0000 N   0  0  0  0  0  0           0  0  0
    2.5602   -3.4597    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7533   -3.2894    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6653   -2.4638    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5979   -1.3125    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
  6  5  1  0     0  0
  6  1  1  0     0  0
  7  8  2  0     0  0
  7  9  1  0     0  0
  3  7  1  0     0  0
 11 10  1  0     0  0
 12 11  2  0     0  0
 13 12  1  0     0  0
 14 13  2  0     0  0
 15 14  1  0     0  0
 15 10  2  0     0  0
 18 17  1  0     0  0
 19 18  2  0     0  0
 20 19  1  0     0  0
 21 20  2  0     0  0
 22 21  1  0     0  0
 22 17  2  0     0  0
 24 23  1  0     0  0
 25 24  2  0     0  0
 26 25  1  0     0  0
 27 26  2  0     0  0
 27 23  1  0     0  0
 23 28  1  0     0  0
 20 27  1  0     0  0
 16 17  1  0     0  0
 12 16  1  0     0  0
  3 10  1  0     0  0
M  END

$$$$
D0L6HN
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    2.5369    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0000    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
    4.2690    0.0000    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    0.5000    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
    3.4030   -1.5000    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
    5.1350    1.5000    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
    6.8671    0.5000    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
    6.0010    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0000    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
    4.2690    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.1900    0.0000 H   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
    2.8660   -2.8100    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
    4.2690   -3.6200    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
    2.0000   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.3100    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 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  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
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 23  1  0  0  0  0
 15 19  2  0  0  0  0
 15 24  1  0  0  0  0
 16 20  2  0  0  0  0
 16 25  1  0  0  0  0
 17 21  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
M  END

$$$$
D0L6KC
  SciTegic04151115542D

 33 37  0  0  0  0            999 V2000
    8.0003   -2.6224    0.0000 C   0  0
    8.8234   -2.6282    0.0000 N   0  0
    8.4077   -4.4359    0.0000 N   0  0
    7.6621   -4.0761    0.0000 C   0  0
    7.4850   -3.2711    0.0000 C   0  0
    6.7008   -3.0235    0.0000 C   0  0
    6.0930   -3.5798    0.0000 C   0  0
    6.2747   -4.3871    0.0000 C   0  0
    7.0586   -4.6309    0.0000 N   0  0
    9.3374   -3.2739    0.0000 C   0  0
    9.1542   -4.0830    0.0000 C   0  0
    9.7624   -4.6442    0.0000 N   0  0
   10.5543   -4.3976    0.0000 C   0  0
   10.7343   -3.5845    0.0000 C   0  0
   10.1246   -3.0269    0.0000 C   0  0
    5.3040   -3.3323    0.0000 C   0  0
    4.6952   -3.8917    0.0000 C   0  0
    3.9062   -3.6441    0.0000 O   0  0
    3.2973   -4.2035    0.0000 C   0  0
    2.0822   -5.3181    0.0000 N   0  3
    2.8761   -5.5644    0.0000 C   0  0
    3.4812   -5.0041    0.0000 C   0  0
    1.9024   -4.5101    0.0000 C   0  0
    2.5117   -3.9559    0.0000 C   0  0
    2.3358   -3.1532    0.0000 C   0  0
    1.5511   -2.9037    0.0000 C   0  0
    0.9423   -3.4630    0.0000 C   0  0
    1.1214   -4.2635    0.0000 C   0  0
    8.4044   -5.2627    0.0000 C   0  0
    9.1189   -5.6792    0.0000 C   0  0
    9.1850   -1.8846    0.0000 C   0  0
    7.6434   -1.8765    0.0000 O   0  0
    1.4741   -5.8783    0.0000 O   0  5
  6  7  2  0
  7 16  1  0
 11  3  1  0
 16 17  1  0
  7  8  1  0
 17 18  1  0
  4  3  1  0
 18 19  1  0
 19 24  2  0
  8  9  2  0
 23 20  2  0
  9  4  1  0
 20 21  1  0
  1  2  1  0
 21 22  2  0
 22 19  1  0
  2 10  1  0
 10 11  2  0
 23 24  1  0
  4  5  2  0
 24 25  1  0
 11 12  1  0
 25 26  2  0
  1  5  1  0
 26 27  1  0
 12 13  2  0
 27 28  2  0
 28 23  1  0
  5  6  1  0
  3 29  1  0
 13 14  1  0
 29 30  1  0
  2 31  1  0
 14 15  2  0
  1 32  2  0
 15 10  1  0
 20 33  1  0
M  CHG  2  20   1  33  -1
M  ENDM  END

$$$$
D0L6KK
  -OEChem-04152110092D

 50 51  0     1  0  0  0  0  0999 V2000
    3.7320    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 N   0  0  3  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
    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
    2.8660   -0.2500    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
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    3.7500    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
    4.5981   -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
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    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
    3.5981   -3.2500    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
    4.5981    4.7500    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
    5.4641    5.2500    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
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    5.1350    1.0600    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
    3.1951   -2.0600    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
    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
    3.5981   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  1  0  0  0  0
 16  7  1  6  0  0  0
  7 47  1  0  0  0  0
  8 20  2  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  2  0  0  0  0
 11 18  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  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
 16 20  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 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
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  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
 25 27  1  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 29  2  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END

$$$$
D0L6LD
  -OEChem-04152111142D

 83 86  0     0  0  0  0  0  0999 V2000
    9.8744   -4.5576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -7.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4580   -5.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0L6NW
  -OEChem-10101305032D

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410792  1  0  0  0  0
411793  1  0  0  0  0
M  END

$$$$
D0L6OA
  -OEChem-04152110172D

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M  END

$$$$
D0L6VH
          01210517132D 1   1.00000     0.00000     0

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M  END

$$$$
D0L6XO
  -OEChem-03141904472D

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 33 65  1  0  0  0  0
 34 67  1  0  0  0  0
 35 66  1  0  0  0  0
M  END

$$$$
D0L6XQ
  -OEChem-04152111102D

 65 69  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0L7TA
  -OEChem-04152111002D

 50 53  0     0  0  0  0  0  0999 V2000
   11.2619   -4.3417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 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

$$$$
D0L7WS
  -OEChem-04152111102D

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

$$$$
D0L8HB
  -OEChem-03141904462D

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M  END

$$$$
D0L8KJ
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 14 16  2  0     0  0
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 17 18  2  0     0  0
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 20 21  1  0     0  0
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 10 11  2  0     0  0
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 10 25  1  0     0  0
 11 12  1  0     0  0
 25 26  1  0     0  0
  2  3  1  0     0  0
  1 27  1  0     0  0
 12 13  2  0     0  0
 27 28  1  0     0  0
 13  8  1  0     0  0
 28 29  1  0     0  0
  3  6  2  0     0  0
 28 30  2  0     0  0
 13 14  1  0     0  0
 28 31  2  0     0  0
  6  7  1  0     0  0
 26 32  1  0     0  0
 14 15  1  0     0  0
 26 33  1  0     0  0
M  END

$$$$
D0L8MO
  -OEChem-02041520562D

 33 34  0     1  0  0  0  0  0999 V2000
    6.2619    1.2320    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783    2.0368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
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 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D0L9IA
  -OEChem-10101305022D

 43 43  0     1  0  0  0  0  0999 V2000
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    6.0010   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17  5  1  1  0  0  0
 13  6  1  1  0  0  0
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 14  7  1  6  0  0  0
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 15  8  1  6  0  0  0
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 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D0L9KH
          04091100382D 1   1.00000     0.00000     0

 34 38  0     0  0            999 V2000
   -2.7167   -2.0000    0.0000 F   0  0  0  0  0  0           0  0  0
   -2.3583   -1.3792    0.0000 C   0  0  3  0  0  0           0  0  0
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 19 20  1  0     0  0
 20 18  2  0     0  0
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 18 21  1  0     0  0
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 21 22  2  0     0  0
 22  6  1  0     0  0
 21 17  1  0     0  0
  8 11  1  0     0  0
 12 23  2  0     0  0
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 23 24  1  0     0  0
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 26 25  2  0     0  0
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 12 13  1  0     0  0
 14 15  1  0     0  0
  4  6  1  0     0  0
 27 28  1  0     0  0
 28 30  1  0     0  0
 29 26  1  0     0  0
 29 30  2  0     0  0
  7  8  1  0     0  0
 15 13  2  0     0  0
 30  9  1  0     0  0
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 31 32  1  0     0  0
 32 29  1  0     0  0
 13 16  1  0     0  0
 20 33  1  0     0  0
 16 17  2  0     0  0
 33 34  3  0     0  0
 17 14  1  0     0  0
M  END

$$$$
D0L9NX
  -OEChem-04152109362D

 90 94  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0L9PA
  -OEChem-02061504192D

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M  END

$$$$
D0L9QM
  -OEChem-02061504202D

 64 68  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0L9XF
  -OEChem-04152111182D

 72 76  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0LA1R
  -OEChem-10101305032D

146150  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0LB0X
  -OEChem-10191521152D

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M  END

$$$$
D0LB8B
          06221100082D 1   1.00000     0.00000     0

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 22 88  1  0     0  0
 42 46  1  6     0  0
 88 89  1  0     0  0
 48 47  1  0     0  0
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 18 91  1  1     0  0
 28 27  1  0     0  0
  7 92  1  0     0  0
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  3  4  1  0     0  0
 93 94  1  0     0  0
  4  5  1  0     0  0
 94 95  1  0     0  0
  5  6  1  0     0  0
 95 96  1  0     0  0
  6  2  1  0     0  0
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  2  3  1  0     0  0
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 28 29  1  6     0  0
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 99100  1  0     0  0
 10 12  1  0     0  0
 50 51  1  0     0  0
  8  7  1  0     0  0
 15 19  1  0     0  0
 30 31  1  0     0  0
 99104  1  0     0  0
100101  1  0     0  0
101102  1  0     0  0
102103  1  0     0  0
103104  1  0     0  0
 16 12  1  0     0  0
 98105  2  0     0  0
 12 17  1  0     0  0
102106  1  0     0  0
106  6  1  0     0  0
 50 54  1  0     0  0
  5107  2  0     0  0
 51 48  1  0     0  0
  4108  1  0     0  0
 48 52  1  0     0  0
108109  1  0     0  0
 52 53  1  0     0  0
  2110  2  0     0  0
M  CHG  2   1   1  11  -1
M  END

$$$$
D0LE6F
  -OEChem-04152111092D

 61 64  0     1  0  0  0  0  0999 V2000
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   10.1279   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -4.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4649    3.7546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2479    1.2811    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
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 10 11  1  0  0  0  0
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 10 34  1  0  0  0  0
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 14 19  1  6  0  0  0
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 15 40  1  0  0  0  0
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 16 17  2  0  0  0  0
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 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 25  2  0  0  0  0
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 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
 24 47  1  0  0  0  0
 25 28  1  0  0  0  0
 25 48  1  0  0  0  0
 26 29  2  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 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 31 33  1  0  0  0  0
 31 54  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
M  END

$$$$
D0LF1U
  -OEChem-10121500412D

 48 51  0     1  0  0  0  0  0999 V2000
    6.9273   -1.1758    0.0000 Cl  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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 18 41  1  0  0  0  0
 20 22  1  0  0  0  0
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 25 45  1  0  0  0  0
 26 28  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D0LF5Q
  SciTegic05061409512D

 65 70  0  0  0  0            999 V2000
   11.2553   -6.3766    0.0000 C   0  0
   12.0775   -6.3766    0.0000 C   0  0
   12.3366   -5.5953    0.0000 C   0  0  2  0  0  0
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   11.0027   -5.5953    0.0000 C   0  0  2  0  0  0
   13.0480   -5.1820    0.0000 C   0  0
   13.0516   -4.3573    0.0000 C   0  0
   13.7611   -3.9401    0.0000 C   0  0
   14.4790   -4.3576    0.0000 C   0  0
   14.4792   -5.1854    0.0000 C   0  0
   13.7578   -5.5942    0.0000 C   0  0
   15.1979   -3.9423    0.0000 N   0  0
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   16.6250   -3.9425    0.0000 C   0  0  2  0  0  0
   15.9097   -5.1800    0.0000 O   0  0
   16.7081   -3.1267    0.0000 C   0  0
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   17.9321   -3.6688    0.0000 C   0  0
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   18.1456   -5.4891    0.0000 C   0  0  1  0  0  0
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M  ENDM  END

$$$$
D0LG7X
  -OEChem-03141904462D

 49 53  0     1  0  0  0  0  0999 V2000
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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

$$$$
D0LG8T
  -OEChem-03141904482D

 32 34  0     0  0  0  0  0  0999 V2000
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 12 15  2  0  0  0  0
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 18 28  1  0  0  0  0
 19 30  1  0  0  0  0
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 19 32  1  0  0  0  0
M  END

$$$$
D0LH4J
  -OEChem-10101305022D

153155  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0LI1C
  -OEChem-10101305022D

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 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
M  END

$$$$
D0LJ1B
  -OEChem-10121501572D

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M  END

$$$$
D0LK4X
  -OEChem-10101305032D

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 36 73  1  0  0  0  0
M  END

$$$$
D0LL4Y
  -OEChem-03141904462D

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   11.3198   -1.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
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  8 25  1  0  0  0  0
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 10 27  1  0  0  0  0
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 23 39  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

$$$$
D0LQ3L
  -OEChem-03141904522D

 47 50  0     1  0  0  0  0  0999 V2000
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   11.5430    1.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5430    0.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 39  1  0  0  0  0
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 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

$$$$
D0LT0U
  -OEChem-04152109522D

 50 52  0     1  0  0  0  0  0999 V2000
   11.2632    2.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3991    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1312    2.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 24  1  0  0  0  0
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 22 45  1  0  0  0  0
 23 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

$$$$
D0LW0T
  -OEChem-03141904532D

 41 45  0     1  0  0  0  0  0999 V2000
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    3.4945    0.7140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2006    2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1724    2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0LW1Y
  -OEChem-04152111042D

 51 52  0     0  0  0  0  0  0999 V2000
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 27 51  1  0  0  0  0
M  END

$$$$
D0M0PY
  -OEChem-04152111252D

849866  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0M0SS
  -OEChem-10111523532D

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 41 71  1  0  0  0  0
M  END

$$$$
D0M0UT
          01210515502D 1   1.00000     0.00000     0

  9  9  0     1  0            999 V2000
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  2  1  1  0     0  0
  3  1  1  0     0  0
  4  3  1  0     0  0
  2  5  1  6     0  0
  6  2  1  0     0  0
  7  3  2  0     0  0
  8  5  2  0     0  0
  9  5  1  0     0  0
  4  6  1  0     0  0
M  END

$$$$
D0M0WV
  -OEChem-02061504192D

141146  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0M0XB
  -OEChem-10191522552D

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 38 70  1  0  0  0  0
M  END

$$$$
D0M1II
  -OEChem-04152110422D

 52 55  0     1  0  0  0  0  0999 V2000
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 30 52  1  0  0  0  0
M  END

$$$$
D0M1IN
  -OEChem-04152110482D

 67 70  0     1  0  0  0  0  0999 V2000
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 25 13  1  1  0  0  0
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 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 25 26  1  0  0  0  0
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 26 51  1  0  0  0  0
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 28 29  2  0  0  0  0
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 29 32  1  0  0  0  0
 29 56  1  0  0  0  0
 30 33  2  0  0  0  0
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 31 34  1  0  0  0  0
 31 58  1  0  0  0  0
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 32 35  2  0  0  0  0
 32 60  1  0  0  0  0
 33 35  1  0  0  0  0
 33 61  1  0  0  0  0
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 35 62  1  0  0  0  0
 36 38  1  0  0  0  0
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 38 40  2  0  0  0  0
 38 65  1  0  0  0  0
 39 40  1  0  0  0  0
 39 66  1  0  0  0  0
 40 67  1  0  0  0  0
M  END

$$$$
D0M1MZ
  -OEChem-02061504282D

 44 46  0     0  0  0  0  0  0999 V2000
    5.8167    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3199    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 27 37  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

$$$$
D0M1ZH
  -OEChem-03141904512D

 25 25  0     0  0  0  0  0  0999 V2000
    5.4641    2.5000    0.0000 Cl  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 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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 10 18  1  0  0  0  0
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 11 21  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END

$$$$
D0M2TG
          08051000312D 1   1.00000     0.00000     0

 36 41  0     1  0            999 V2000
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    4.9093    4.4424    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0412    0.7621    0.0000 C   0  0  2  0  0  0           0  0  0
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  1  2  1  0     0  0
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  1  5  1  6     0  0
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  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
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 11 14  1  0     0  0
 11 15  1  0     0  0
 11 16  1  1     0  0
 13 17  1  6     0  0
 14 18  1  0     0  0
 15 19  1  0     0  0
 18 20  1  0     0  0
 18 21  1  0     0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
 22 24  1  0     0  0
 22 25  1  0     0  0
 22 26  1  1     0  0
 24 27  1  0     0  0
 25 28  1  0     0  0
 27 29  1  0     0  0
 29 30  1  1     0  0
  6  8  1  0     0  0
 10 13  1  0     0  0
 12 14  1  0     0  0
 19 20  1  0     0  0
 23 24  1  0     0  0
 28 29  1  0     0  0
  6 31  1  6     0  0
  8 32  1  6     0  0
 14 33  1  6     0  0
 18 34  1  1     0  0
 20 35  1  6     0  0
 24 36  1  1     0  0
M  END

$$$$
D0M2TS
  -OEChem-03141904462D

 51 54  0     0  0  0  0  0  0999 V2000
    3.0000    2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0M2WQ
  -OEChem-04152110512D

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M  END

$$$$
D0M2WZ
          01240500532D 1   1.00000     0.00000     0

 27 30  0     0  0            999 V2000
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    6.5125   -1.8417    0.0000 C   0  0  0  0  0  0           0  0  0
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 10  4  2  0     0  0
 11  9  2  0     0  0
 12  8  1  0     0  0
 13 12  2  0     0  0
 14 10  1  0     0  0
 15 18  1  0     0  0
 16 11  1  0     0  0
 17 13  1  0     0  0
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 19  6  2  0     0  0
 20 21  2  0     0  0
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 22 26  1  0     0  0
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 27 25  1  0     0  0
  3  5  1  0     0  0
 11 20  1  0     0  0
  7  8  1  0     0  0
 15 22  2  0     0  0
M  END

$$$$
D0M3BB
          03301101142D 1   1.00000     0.00000     0

 38 45  0     0  0            999 V2000
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 10 11  1  0     0  0
 11 12  2  0     0  0
 12  9  1  0     0  0
 13  9  1  0     0  0
 14 13  1  0     0  0
 15  8  2  0     0  0
 16 10  1  0     0  0
 17 26  1  0     0  0
 18  1  1  0     0  0
 19  3  2  0     0  0
 20  4  1  0     0  0
 21 25  1  0     0  0
 22 14  1  0     0  0
 23 16  2  0     0  0
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 25 18  2  0     0  0
 26 22  2  0     0  0
 27 23  1  0     0  0
 28 19  1  0     0  0
 29  6  2  0     0  0
 30  5  2  0     0  0
 31 17  1  0     0  0
 32 18  1  0     0  0
 33 20  1  0     0  0
 34 19  1  0     0  0
 35 21  1  0     0  0
 36 22  1  0     0  0
 37 23  1  0     0  0
 38 24  1  0     0  0
 13 21  2  0     0  0
 11  7  1  0     0  0
  3  8  1  0     0  0
 28 24  2  0     0  0
 16 15  1  0     0  0
 17  2  2  0     0  0
  4  5  1  0     0  0
 27 20  2  0     0  0
M  END

$$$$
D0M3IN
  -OEChem-10121500252D

 15 16  0     0  0  0  0  0  0999 V2000
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  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
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  4 11  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
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 11 15  1  0  0  0  0
M  END

$$$$
D0M3TD
          12060700062D 1   1.00000     0.00000     0

 27 29  0     0  0            999 V2000
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    2.6750   -1.7250    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  3  1  0     0  0
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 10  6  2  0     0  0
 11  6  1  0     0  0
 12  8  1  0     0  0
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 14  3  1  0     0  0
 15 11  2  0     0  0
 16 12  1  0     0  0
 17  9  1  0     0  0
 18 15  1  0     0  0
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 25 21  1  0     0  0
 26 17  1  0     0  0
 27 20  1  0     0  0
  2  4  2  0     0  0
  9 10  1  0     0  0
 25 18  2  0     0  0
M  END

$$$$
D0M3UT
  -OEChem-10101305022D

 66 69  0     0  0  0  0  0  0999 V2000
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 27 31  2  0  0  0  0
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 29 33  2  0  0  0  0
 29 34  1  0  0  0  0
 30 32  2  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
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 33 35  1  0  0  0  0
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 34 36  2  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
 36 62  1  0  0  0  0
 38 64  1  0  0  0  0
 38 65  1  0  0  0  0
 38 66  1  0  0  0  0
M  END

$$$$
D0M3XR
  -OEChem-10191523082D

 47 50  0     1  0  0  0  0  0999 V2000
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 11  7  1  6  0  0  0
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 13  8  1  6  0  0  0
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 25 43  1  0  0  0  0
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 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D0M3YX
  -OEChem-10191523022D

 40 39  0     1  0  0  0  0  0999 V2000
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    9.4651    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.8450    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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 13  2  1  1  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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 11 10  1  6  0  0  0
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 20 36  1  0  0  0  0
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M  END

$$$$
D0M4AV
  -OEChem-10191523082D

 68 71  0     0  0  0  0  0  0999 V2000
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 40 67  1  0  0  0  0
 40 68  1  0  0  0  0
M  END

$$$$
D0M4HL
          02021100082D 1   1.00000     0.00000     0

 32 35  0     1  0            999 V2000
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 16 15  2  0     0  0
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 10  9  1  0     0  0
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 13  9  1  0     0  0
 30 29  1  0     0  0
 31  1  1  0     0  0
 32 30  1  0     0  0
 15 14  1  0     0  0
M  END

$$$$
D0M4KE
  -OEChem-10101305032D

 38 40  0     1  0  0  0  0  0999 V2000
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 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D0M4TJ
  -OEChem-03141904502D

 56 58  0     0  0  0  0  0  0999 V2000
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 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END

$$$$
D0M4UZ
  -OEChem-04152111172D

 35 36  0     1  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
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  1 10  1  0  0  0  0
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 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END

$$$$
D0M5BI
  -OEChem-04152111012D

 23 23  0     1  0  0  0  0  0999 V2000
    2.8660    1.7500    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
  2 11  2  0  0  0  0
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 10 13  1  0  0  0  0
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 10 18  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

$$$$
D0M5BS
  -OEChem-04152108522D

 54 56  0     0  0  0  0  0  0999 V2000
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 13 36  1  0  0  0  0
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 14 23  1  0  0  0  0
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 18 44  1  0  0  0  0
 19 26  1  0  0  0  0
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 20 22  1  0  0  0  0
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 22 24  2  0  0  0  0
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 23 48  1  0  0  0  0
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 25 49  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

$$$$
D0M5EN
  -OEChem-03141904542D

 44 45  0     0  0  0  0  0  0999 V2000
    7.2764    2.5552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3660    3.1165    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3600    0.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    0.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3600   -2.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END

$$$$
D0M5HV
  -OEChem-10101305022D

 77 81  0     1  0  0  0  0  0999 V2000
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 41 77  1  0  0  0  0
M  END

$$$$
D0M5PH
  -OEChem-04152111222D

 52 55  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0M5VV
  -OEChem-04152110522D

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M  CHG  4   1   3   5  -1   6  -1   9  -1
M  ISO  1   1 177
M  END

$$$$
D0M5WS
  -OEChem-04152110342D

 73 77  0     1  0  0  0  0  0999 V2000
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 40 72  1  0  0  0  0
 41 73  1  0  0  0  0
M  END

$$$$
D0M5XN
  -OEChem-04152111362D

 52 58  0     1  0  0  0  0  0999 V2000
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 33 49  1  0  0  0  0
 33 50  1  0  0  0  0
 35 52  1  0  0  0  0
M  END

$$$$
D0M6BA
  -OEChem-04152122282D

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M  END

$$$$
D0M6BD
          12101000402D 1   1.00000     0.00000     0

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 22 24  2  0     0  0
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 31 32  2  0     0  0
 32 27  1  0     0  0
 23 33  1  0     0  0
 14 15  2  0     0  0
M  END

$$$$
D0M6PA
  -OEChem-04152111102D

 48 51  0     0  0  0  0  0  0999 V2000
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  3  8  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D0M6XK
  -OEChem-03141904492D

676701  0     1  0  0  0  0  0999 V2000
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349648  1  0  0  0  0
350355  1  0  0  0  0
350649  1  0  0  0  0
350650  1  0  0  0  0
354652  1  0  0  0  0
354653  1  0  0  0  0
355360  1  0  0  0  0
355656  1  0  0  0  0
355657  1  0  0  0  0
356357  1  0  0  0  0
357660  1  0  0  0  0
357661  1  0  0  0  0
359361  1  0  0  0  0
359362  1  0  0  0  0
359664  1  0  0  0  0
361363  1  0  0  0  0
361668  1  0  0  0  0
361669  1  0  0  0  0
363364  2  0  0  0  0
363365  1  0  0  0  0
364366  1  0  0  0  0
364672  1  0  0  0  0
365367  2  0  0  0  0
365673  1  0  0  0  0
366368  2  0  0  0  0
366674  1  0  0  0  0
367368  1  0  0  0  0
367675  1  0  0  0  0
M  END

$$$$
D0M7CB
          10131001172D 1   1.00000     0.00000     0

 32 36  0     0  0            999 V2000
    7.8500   -0.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2787   -0.6042    0.0000 C   0  0  0  0  0  0           0  0  0
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    9.5684    1.6241    0.0000 C   0  0  0  0  0  0           0  0  0
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    9.9900   -1.1045    0.0000 O   0  0  0  0  0  0           0  0  0
   10.4219   -0.3663    0.0000 N   0  0  0  0  0  0           0  0  0
   10.8500   -0.6155    0.0000 C   0  0  3  0  0  0           0  0  0
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    8.2787    0.3875    0.0000 N   0  0  0  0  0  0           0  0  0
 14  9  1  0     0  0
  1  2  2  0     0  0
 13 15  1  0     0  0
  2  4  1  0     0  0
 15 16  3  0     0  0
  3  8  1  0     0  0
 16 17  1  0     0  0
  4  5  1  0     0  0
 17 18  2  0     0  0
  5  6  1  0     0  0
 18 19  1  0     0  0
  6  7  2  0     0  0
 19 20  2  0     0  0
  7  8  1  0     0  0
 20 21  1  0     0  0
  3 32  1  0     0  0
 21 22  2  0     0  0
 22 17  1  0     0  0
  8  9  1  0     0  0
 19 23  1  0     0  0
  3  4  2  0     0  0
  5 24  2  0     0  0
  9 10  2  0     0  0
  6 25  1  0     0  0
 25 26  2  0     0  0
 10 11  1  0     0  0
 25 27  1  0     0  0
 31  1  1  0     0  0
 27 28  1  0     0  0
 29 28  1  0     0  0
 30 29  1  0     0  0
 28 30  1  0     0  0
 11 12  2  0     0  0
 32 31  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
M  CHG  2  19   1  23  -1
M  END

$$$$
D0M7DS
  -OEChem-04152109112D

102103  0     1  0  0  0  0  0999 V2000
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 36 41  1  0  0  0  0
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 37 39  1  0  0  0  0
 37 87  1  0  0  0  0
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 40 90  1  0  0  0  0
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 42 94  1  0  0  0  0
 43 95  1  0  0  0  0
 43 96  1  0  0  0  0
 43 97  1  0  0  0  0
M  END

$$$$
D0M7OU
  -OEChem-10101305032D

 52 54  0     0  0  0  0  0  0999 V2000
   10.3277    5.4216    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.1441    3.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514   10.5473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 30 51  1  0  0  0  0
M  END

$$$$
D0M7PU
  -OEChem-04152122302D

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M  END

$$$$
D0M8AI
  -OEChem-10101305022D

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M  END

$$$$
D0M8FD
  -OEChem-10191522572D

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M  END

$$$$
D0M8KY
  -OEChem-10191521162D

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 30 49  1  0  0  0  0
M  END

$$$$
D0M8OC
  -OEChem-10101305022D

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M  END

$$$$
D0M8VL
          12160500252D 1   1.00000     0.00000     0

 42 46  0     1  0            999 V2000
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 41  5  1  0     0  0
 19 23  1  0     0  0
M  END

$$$$
D0M8YM
  -OEChem-03141904462D

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 41 72  1  0  0  0  0
 42 73  1  0  0  0  0
M  END

$$$$
D0M9FQ
  -OEChem-10101305022D

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M  END

$$$$
D0M9JJ
  SciTegic11251413152D

 17 20  0  0  0  0            999 V2000
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M  ENDM  END

$$$$
D0M9QZ
  -OEChem-10191522542D

 46 49  0     0  0  0  0  0  0999 V2000
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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
M  END

$$$$
D0M9RI
  -OEChem-03141904462D

 57 60  0     0  0  0  0  0  0999 V2000
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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

$$$$
D0M9RQ
  -OEChem-10191521162D

 55 58  0     0  0  0  0  0  0999 V2000
   13.1137   -1.7006    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 23 47  1  0  0  0  0
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 25 48  1  0  0  0  0
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 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
 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
M  END

$$$$
D0M9VE
  CDK    9/16/09,9:50

 26 28  0  0  0  0  0  0  0  0999 V2000
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   13.0224  -10.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5553   -7.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0MA0F
  -OEChem-02041520492D

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M  END

$$$$
D0MB2Z
  -OEChem-04152111352D

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M  END

$$$$
D0MD5M
  -OEChem-03141904512D

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M  END

$$$$
D0MD6C
  -OEChem-03141904532D

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M  END

$$$$
D0MD7Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.365  -0.382   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.365  -1.207   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.651  -1.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.937  -1.207   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.937  -0.382   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.651   0.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.222   0.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.468  -0.305   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.084   0.308   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.329   1.023   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.136   0.851   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.007   1.777   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.478   2.444   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.827   1.863   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.904   0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.240  -0.531   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.060  -0.618   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.545   0.050   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.209   0.803   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.389   0.890   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.755  -1.199   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       3.365  -0.036   0.000  1.00  0.00          Cl  
HETATM   23  N   UNL     1      -2.651  -2.444   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    9   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   18                                                      
CONECT   23    3                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0MH8O
  -OEChem-10121500432D

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 51106  1  0  0  0  0
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 53 56  1  0  0  0  0
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 54110  1  0  0  0  0
 55 59  2  0  0  0  0
 55111  1  0  0  0  0
 56112  1  0  0  0  0
 56113  1  0  0  0  0
 57 60  1  0  0  0  0
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 59116  1  0  0  0  0
 60 62  1  0  0  0  0
 60114  1  0  0  0  0
 62 63  1  0  0  0  0
 62117  1  0  0  0  0
 62118  1  0  0  0  0
M  END

$$$$
D0MJ2H
          04100902202D 1   1.00000     0.00000     0

 26 29  0     0  0            999 V2000
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   -1.0210    0.7775    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.4165    0.7818    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1114    0.3839    0.0000 C   0  0  0  0  0  0           0  0  0
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   -3.8040    0.7933    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4986    0.3951    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.9398   -2.3247    0.0000 N   0  0  3  0  0  0           0  0  0
    1.6917   -3.0865    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3370   -3.5651    0.0000 N   0  0  0  0  0  0           0  0  0
    2.9933   -3.0946    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7447   -2.3260    0.0000 C   0  0  0  0  0  0           0  0  0
 12 13  1  0     0  0
 13  9  1  0     0  0
  6  7  1  0     0  0
  1 14  1  0     0  0
  7 10  2  0     0  0
 14 15  1  0     0  0
  3  4  1  0     0  0
 15 16  1  0     0  0
  9  8  2  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
  8  5  1  0     0  0
  9 10  1  0     0  0
  4  5  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 17  2  0     0  0
  2  3  1  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
  5  6  2  0     0  0
  1  2  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 22  1  0     0  0
M  END

$$$$
D0ML2V
  SciTegic11301210262D

 17 18  0  0  1  0            999 V2000
    0.0250    0.2208    0.0000 N   0  0
   -0.9458    0.7500    0.0000 C   0  0
   -0.9458    1.8458    0.0000 N   0  0
    0.0667   -0.8542    0.0000 C   0  0  2  0  0  0
    0.9500    0.7500    0.0000 C   0  0
    0.9250    1.8708    0.0000 C   0  0
    0.0000    2.4000    0.0000 C   0  0
   -0.7708   -1.5292    0.0000 O   0  0
    0.9542   -1.4375    0.0000 C   0  0
   -0.3750   -2.5250    0.0000 C   0  0  1  0  0  0
    0.6750   -2.4667    0.0000 C   0  0  1  0  0  0
   -1.8875    0.2208    0.0000 O   0  0
    0.0000    3.4708    0.0000 O   0  0
    1.8750    2.4458    0.0000 Cl  0  0
    1.3375   -3.3167    0.0000 F   0  0
   -0.9583   -3.4375    0.0000 C   0  0
   -2.0333   -3.3917    0.0000 O   0  0
  2  1  1  0
  3  2  1  0
  4  1  1  1
  5  1  1  0
  6  5  2  0
  7  6  1  0
  8  4  1  0
  9  4  1  0
 10  8  1  0
 11  9  1  0
 12  2  2  0
 13  7  2  0
 14  6  1  0
 11 15  1  6
 10 16  1  1
 17 16  1  0
  3  7  1  0
 10 11  1  0
M  END

$$$$
D0MM6A
  SciTegic12011113542D

 32 32  0  0  0  0            999 V2000
    1.5583   -6.4833    0.0000 C   0  0
    1.9750   -7.2000    0.0000 C   0  0  2  0  0  0
    2.3873   -6.4808    0.0000 O   0  0
   -1.5917   -7.6083    0.0000 C   0  0
   -1.5917   -8.4333    0.0000 C   0  0
   -0.8796   -8.8417    0.0000 C   0  0
   -0.1676   -8.4333    0.0000 C   0  0
   -0.1676   -7.6083    0.0000 C   0  0
   -0.8796   -7.1917    0.0000 C   0  0
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   -0.8796   -9.6667    0.0000 O   0  0
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   -2.3055   -8.8469    0.0000 C   0  0
    0.5462   -8.8469    0.0000 C   0  0
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    1.2613   -7.6125    0.0000 C   0  0
    2.6902   -7.6167    0.0000 C   0  0
    3.4059   -7.2063    0.0000 C   0  0
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    4.8349   -7.2105    0.0000 C   0  0
    5.5481   -7.6251    0.0000 C   0  0
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   10.5506   -7.2272    0.0000 C   0  0
   11.2639   -7.6418    0.0000 C   0  0
   10.5530   -6.4022    0.0000 C   0  0
    7.6951   -6.3939    0.0000 C   0  0
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 16  2  1  0
  7  8  2  0
  2 17  1  0
  8  9  1  0
 17 18  1  0
  2  3  1  0
 18 19  1  0
  9 10  2  0
 19 20  2  0
  4  5  2  0
 20 21  1  0
  6 11  2  0
 21 22  1  0
 22 23  1  0
  4 12  1  0
 23 24  2  0
  2  1  1  1
 24 25  1  0
  5 13  1  0
 25 26  1  0
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 26 27  1  0
  7 14  1  0
 27 28  2  0
  5  6  1  0
 28 29  1  0
  8 15  1  0
 28 30  1  0
  6  7  1  0
 24 31  1  0
 15 16  1  0
 20 32  1  0
M  END

$$$$
D0MO0J
  -OEChem-03141904492D

516521  0     1  0  0  0  0  0999 V2000
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   45.2636   14.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4686  -19.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.2831   17.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.6967   14.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   28.0045   -4.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4686   -5.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.4003   15.6563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0045  -20.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   28.0045  -17.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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264516  1  0  0  0  0
M  END

$$$$
D0MP0X
  -OEChem-10121500442D

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 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D0MR0B
  -OEChem-04152111242D

 48 52  0     0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
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 30 48  1  0  0  0  0
M  END

$$$$
D0MR4Q
  -OEChem-04152111232D

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M  END

$$$$
D0MS3Z
  -OEChem-10121500342D

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 31 55  1  0  0  0  0
M  END

$$$$
D0MT1Q
  -OEChem-04152122332D

 64 66  0     0  0  0  0  0  0999 V2000
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 31 63  1  0  0  0  0
M  END

$$$$
D0MV4W
  -OEChem-04152111042D

 65 69  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0MW0N
  -OEChem-10121500402D

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M  END

$$$$
D0MW3H
  -OEChem-10121500502D

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M  END

$$$$
D0MW7B
  -OEChem-10191523002D

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 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 28  2  0  0  0  0
 22 29  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
 24 28  1  0  0  0  0
 24 65  1  0  0  0  0
 25 29  2  0  0  0  0
 25 66  1  0  0  0  0
 26 30  1  0  0  0  0
 26 67  1  0  0  0  0
 27 31  2  0  0  0  0
 27 68  1  0  0  0  0
 28 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 32  2  0  0  0  0
 30 71  1  0  0  0  0
 31 32  1  0  0  0  0
 31 72  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 73  1  0  0  0  0
 35 37  2  0  0  0  0
 35 74  1  0  0  0  0
 36 38  2  0  0  0  0
 36 75  1  0  0  0  0
 37 38  1  0  0  0  0
 37 76  1  0  0  0  0
M  END

$$$$
D0MY7F
  -OEChem-10101305032D

 45 47  0     0  0  0  0  0  0999 V2000
   10.1653    3.2844    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.8797   -0.1053    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7844    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.5891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.6504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    1.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5010    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762    2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8547    2.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    0.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426   -0.5723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7523   -0.1738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230   -1.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700   -2.1873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969   -1.3404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.3213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0407   -0.1565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4621    2.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6936    2.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 27  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 14  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  7 19  2  0  0  0  0
  8 28  1  0  0  0  0
  8 45  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 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  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 21  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 20  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  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
 22 37  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
 23 42  1  0  0  0  0
 24 27  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END

$$$$
D0MY7X
          01220516042D 1   1.00000     0.00000     0

 19 19  0     0  0            999 V2000
    5.6042   -2.6042    0.0000 C   0  0  3  0  0  0           0  0  0
    5.6042   -1.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3792   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9917   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4500   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7667   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8375   -2.6167    0.0000 S   0  0  0  0  0  0           0  0  0
    6.2167   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9917   -1.5417    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3792   -1.9042    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4417   -3.6792    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7667   -3.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1500   -2.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2250   -1.5417    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5375   -2.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1500   -4.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5375   -3.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0625   -2.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9167   -4.0167    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  1  1  0     0  0
  5  7  1  0     0  0
  6  3  1  0     0  0
  7  8  1  0     0  0
  8  1  1  0     0  0
  9  2  2  0     0  0
 10  3  2  0     0  0
 11  5  2  0     0  0
 12  6  2  0     0  0
 13  6  1  0     0  0
 14  2  1  0     0  0
 15 13  2  0     0  0
 16 12  1  0     0  0
 17 15  1  0     0  0
 18  5  1  0     0  0
 19 17  1  0     0  0
 17 16  2  0     0  0
M  END

$$$$
D0MZ2B
  -OEChem-04152108552D

 56 55  0     1  0  0  0  0  0999 V2000
   15.8564   -1.2500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.2500    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
    8.9282   -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
    8.0622    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
    7.1962   -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
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -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
   13.2583    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
   14.1244   -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
   14.9904    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
   15.8564   -0.2500    0.0000 C   0  0  3  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
   16.7224    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -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
    9.3957    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    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
   11.0588   -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
    7.5947   -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
   11.1278    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
   11.9938   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -0.7249    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
   13.6569    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    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
    4.1996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -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
    4.1306   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
   16.3933   -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
    1.4631   -0.5600    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
   18.1254    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 21  1  0  0  0  0
  2 56  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 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 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  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 20  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 21  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
M  END

$$$$
D0MZ9A
  SciTegic12111210002D

 23 26  0  0  0  0            999 V2000
    3.9582   -6.0658    0.0000 C   0  0
    3.3310   -5.7233    0.0000 C   0  0
    3.9582   -6.7908    0.0000 C   0  0
    4.5654   -5.6991    0.0000 C   0  0
    2.7280   -6.0720    0.0000 C   0  0
    3.3310   -5.0044    0.0000 N   0  0
    3.3310   -7.1436    0.0000 N   0  0
    4.5654   -7.1505    0.0000 C   0  0
    5.1753   -6.0693    0.0000 C   0  0
    4.5654   -5.0044    0.0000 O   0  0
    2.7280   -6.7908    0.0000 C   0  0
    2.1105   -5.7233    0.0000 C   0  0
    3.9417   -4.6723    0.0000 C   0  0
    5.1753   -6.7908    0.0000 C   0  0
    2.1105   -7.1436    0.0000 C   0  0
    1.5005   -6.0720    0.0000 C   0  0
    3.9417   -3.9232    0.0000 C   0  0
    1.5005   -6.7908    0.0000 C   0  0
    3.3310   -3.5676    0.0000 C   0  0
    4.5482   -3.5676    0.0000 C   0  0
    3.3310   -2.8522    0.0000 C   0  0
    4.5482   -2.8522    0.0000 C   0  0
    3.9417   -2.4992    0.0000 C   0  0
  2  6  1  0
  3  7  2  0
  3  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  2  0
  5 12  1  0
  6 13  1  0
  8 14  1  0
 11 15  1  0
 12 16  2  0
 13 17  1  0
 15 18  2  0
 17 19  2  0
 17 20  1  0
 19 21  1  0
 20 22  2  0
 21 23  2  0
  7 11  1  0
  9 14  1  0
 16 18  1  0
 22 23  1  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
  2  5  1  0
M  END

$$$$
D0N0AR
  -OEChem-04152122282D

 36 36  0     1  0  0  0  0  0999 V2000
    4.7320   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3692    2.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 33  1  0  0  0  0
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 17 35  1  0  0  0  0
M  END

$$$$
D0N0KW
  -OEChem-04152110452D

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M  END

$$$$
D0N0QC
  -OEChem-10101305032D

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131267  1  0  0  0  0
M  END

$$$$
D0N0RN
  -OEChem-10101305022D

 41 43  0     1  0  0  0  0  0999 V2000
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    6.2528    0.5895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D0N1BF
  -OEChem-10121501022D

 36 38  0     1  0  0  0  0  0999 V2000
    2.7320    2.4145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D0N1CH
  -OEChem-04152122292D

 68 69  0     1  0  0  0  0  0999 V2000
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 32 68  1  0  0  0  0
M  END

$$$$
D0N1EZ
  -OEChem-02061503582D

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M  END

$$$$
D0N1GB
          12040800072D 1   1.00000     0.00000     0

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   -1.8511   -3.1015    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8552   -3.8102    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2421   -4.1667    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6249   -3.8145    0.0000 C   0  0  0  0  0  0           0  0  0
  9 10  2  0     0  0
 18 19  1  0     0  0
  4  5  1  0     0  0
 19 20  2  0     0  0
 20 15  1  0     0  0
 13 15  1  0     0  0
 10 11  1  0     0  0
 18 21  1  0     0  0
 21 22  1  0     0  0
 22  8  1  0     0  0
 11 12  2  0     0  0
  7 23  1  0     0  0
 10  3  1  0     0  0
  5  6  1  0     0  0
  3 24  1  0     0  0
 12 13  1  0     0  0
 24 25  1  0     0  0
  6  7  1  0     0  0
 13 14  2  0     0  0
 14  9  1  0     0  0
  7  8  1  0     0  0
  8  4  1  0     0  0
 15 16  2  0     0  0
 25 26  1  0     0  0
  3  2  2  0     0  0
 16 17  1  0     0  0
  1  3  2  0     0  0
 17 18  2  0     0  0
 25 30  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
M  END

$$$$
D0N1HW
  -OEChem-10121500062D

 42 45  0     0  0  0  0  0  0999 V2000
   11.8385    2.0274    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1921    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  2 10  1  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 14  1  0  0  0  0
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  4 37  1  0  0  0  0
  5 15  1  0  0  0  0
  5 23  2  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  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 11  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
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 12 16  2  0  0  0  0
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 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 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 21  2  0  0  0  0
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 19 22  2  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D0N1PZ
          04280600552D 1   1.00000     0.00000     0

 24 26  0     0  0            999 V2000
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    4.8000   -3.3875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7042   -3.7375    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7042   -3.0250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9000   -2.7917    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.2417   -3.7375    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  2  1  0     0  0
  5  2  1  0     0  0
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  7 10  1  0     0  0
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 10  5  1  0     0  0
 11  8  1  0     0  0
 12  7  1  0     0  0
 13 15  1  0     0  0
 14  6  2  0     0  0
 15 12  2  0     0  0
 16  5  2  0     0  0
 17  9  1  0     0  0
 18 17  2  0     0  0
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 20 14  1  0     0  0
 21  8  1  0     0  0
 22 13  1  0     0  0
 23 19  1  0     0  0
 24 20  1  0     0  0
  4  9  1  0     0  0
 18 14  1  0     0  0
 13 11  2  0     0  0
M  END

$$$$
D0N1TH
  -OEChem-10101305032D

 66 68  0     1  0  0  0  0  0999 V2000
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    7.5673    3.0427    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1921    2.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8349    4.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0N2GC
  -OEChem-04152109402D

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M  END

$$$$
D0N2GQ
          12091000372D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
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  1  2  1  0     0  0
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  6 10  1  0     0  0
  6 11  1  0     0  0
  8 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  0     0  0
  7 10  2  0     0  0
M  END

$$$$
D0N2IE
  -OEChem-04152111212D

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 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
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 37 96  1  0  0  0  0
 38 39  1  0  0  0  0
 38 97  1  0  0  0  0
 38 98  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END

$$$$
D0N2JI
  MDL     03120710462D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
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  2  1  1  0     0  0
  3  1  2  0     0  0
  4  3  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  7  4  2  0     0  0
  8  2  1  0     0  0
  9  3  1  0     0  0
 10  8  1  0     0  0
 11  8  1  0     0  0
 12  6  1  0     0  0
 13  7  1  0     0  0
 14 10  1  0     0  0
 15 10  1  0     0  0
 16 14  1  0     0  0
 17 14  1  0     0  0
  9 11  1  0     0  0
  7  5  1  0     0  0
M  END

$$$$
D0N3EJ
  -OEChem-04152108532D

 49 52  0     0  0  0  0  0  0999 V2000
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 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D0N3IA
  -OEChem-04152122302D

 55 58  0     1  0  0  0  0  0999 V2000
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 15 20  1  0  0  0  0
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 17 21  1  0  0  0  0
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 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  3  0  0  0  0
 23 55  1  0  0  0  0
M  END

$$$$
D0N3JT
          02171000112D 1   1.00000     0.00000     0

 61 64  0     1  0            999 V2000
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  8 15  1  0     0  0
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 10 17  1  0     0  0
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 13  2  1  0     0  0
 14  7  2  0     0  0
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 40  6  1  0     0  0
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 13 44  1  6     0  0
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 46 18  1  0     0  0
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 21 48  1  6     0  0
 49 31  1  0     0  0
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 52 45  1  0     0  0
 11 53  1  6     0  0
  2 54  1  1     0  0
  3  2  1  0     0  0
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 26 22  2  0     0  0
 33 31  2  0     0  0
 50 55  1  0     0  0
  2  1  1  0     0  0
 50 56  1  0     0  0
  3  1  1  0     0  0
 55 57  1  0     0  0
  4 12  1  0     0  0
 57 58  1  0     0  0
  5 10  1  0     0  0
 58 59  1  0     0  0
  6  8  1  0     0  0
 58 60  2  0     0  0
  7  6  1  0     0  0
 59 61  1  0     0  0
M  END

$$$$
D0N3NL
  -OEChem-10101305022D

 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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 25 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 33  2  0  0  0  0
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 29 31  2  0  0  0  0
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 30 32  2  0  0  0  0
 30 53  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END

$$$$
D0N3RK
  -OEChem-02041521322D

 27 26  0     0  0  0  0  0  0999 V2000
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  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  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
 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
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 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 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D0N3SR
  -OEChem-10121501452D

 64 66  0     1  0  0  0  0  0999 V2000
   12.3923   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    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
   14.9904   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3923    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6900    0.0000 C   0  0  3  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
    8.9282   -1.1900    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
   10.6603   -2.1900    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
   10.6603    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    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
   11.5263   -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
   10.6603    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8100    0.0000 C   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
   13.2583   -0.6900    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
   14.1244   -1.1900    0.0000 C   0  0  0  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
    4.5981   -0.6900    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
   15.8564   -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
    3.7320   -2.1900    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   -2.6900    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
    9.2573   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.3100    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
    8.3913    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -1.6650    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
    4.5981   -0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5464   -1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1664   -0.6531    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
    4.2690   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  2  0  0  0  0
  4 19  2  0  0  0  0
  5 27  1  0  0  0  0
  5 31  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 38  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 37  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 19  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  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 39  1  0  0  0  0
 18 23  2  0  0  0  0
 18 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 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  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
 25 27  1  0  0  0  0
 25 49  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
 27 54  1  0  0  0  0
 28 29  2  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  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 34  1  0  0  0  0
 32 60  1  0  0  0  0
 33 35  2  0  0  0  0
 33 61  1  0  0  0  0
 34 36  2  0  0  0  0
 34 62  1  0  0  0  0
 35 36  1  0  0  0  0
 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D0N3XT
  -OEChem-10121501322D

 43 46  0     0  0  0  0  0  0999 V2000
   11.5923   -1.4642    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5600    0.0000 N   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
    7.1962    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.9400    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
    8.9282    0.0600    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
    6.3301   -1.4400    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    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    0.5947    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
    4.5981    0.5600    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
    8.0622   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    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
    2.0000    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -0.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -1.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    0.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1800    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
    1.4631    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5600    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 21  1  0  0  0  0
  3 43  1  0  0  0  0
  4 21  2  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  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 18  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  2  0  0  0  0
 15 33  1  0  0  0  0
 16 22  2  0  0  0  0
 16 34  1  0  0  0  0
 17 23  2  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 24  1  0  0  0  0
 20 25  2  0  0  0  0
 22 23  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 39  1  0  0  0  0
 26 28  1  0  0  0  0
 26 40  1  0  0  0  0
 27 28  2  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  END

$$$$
D0N4DF
  SciTegic07311313042D

 29 33  0  0  0  0            999 V2000
    1.2216   -3.1466    0.0000 C   0  0
    1.4352   -3.9434    0.0000 O   0  0
    1.8050   -2.5632    0.0000 C   0  0
    2.9718   -1.3964    0.0000 C   0  0
    2.1749   -1.1829    0.0000 C   0  0
    1.5915   -1.7663    0.0000 C   0  0
    2.6019   -2.7767    0.0000 C   0  0
    2.8154   -3.5736    0.0000 O   0  0
    3.5551   -0.8131    0.0000 C   0  0
    3.1853   -2.1933    0.0000 C   0  0
    3.9822   -2.4069    0.0000 C   0  0  2  0  0  0
    4.3520   -1.0266    0.0000 C   0  0  2  0  0  0
    4.5655   -1.8235    0.0000 C   0  0  2  0  0  0
    4.1957   -3.2038    0.0000 C   0  0
    4.9926   -3.4173    0.0000 C   0  0
    5.5759   -2.8339    0.0000 C   0  0
    5.3624   -2.0370    0.0000 C   0  0
    5.2061   -4.2142    0.0000 O   0  0
    3.7686   -1.6100    0.0000 O   0  0
    5.0665   -0.6141    0.0000 N   0  3  1  0  0  0
    3.9395   -0.3121    0.0000 H   0  0
    4.6540    0.1004    0.0000 C   0  0
    5.7809   -0.2016    0.0000 C   0  0
    6.4954   -0.6141    0.0000 C   0  0
    4.7791   -2.6204    0.0000 C   0  0
    5.4790   -1.3286    0.0000 C   0  0
    0.4247   -2.9331    0.0000 N   0  0
    6.9080   -1.3285    0.0000 C   0  0
    7.3204   -0.6141    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  6  3  2  0
  3  7  1  0
  4  5  2  0
  5  6  1  0
  7 10  2  0
  7  8  1  0
  9  4  1  0
 10 11  1  0
 13 12  1  0
  9 12  1  0
  4 10  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 13 17  1  0
 13 11  1  0
 15 18  2  0
 13 19  1  1
 12 20  1  0
 12 21  1  6
 20 22  1  0
 20 23  1  1
 23 24  1  0
 11 25  1  1
 20 26  1  0
 25 26  1  0
  1 27  1  0
 24 28  1  0
 29 24  1  0
 28 29  1  0
M  CHG  1  20   1
M  END

$$$$
D0N4EO
  -OEChem-10191522582D

172179  0     1  0  0  0  0  0999 V2000
    4.2562    5.7094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    8.6732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    8.6491    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9142   -4.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8796   -5.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6003   -3.5615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6455   -5.8372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5818   -5.3806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6110   -6.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9832   -3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5097   -7.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2067   -0.5273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0267   -8.3288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 96168  1  0  0  0  0
 97 98  1  0  0  0  0
 98169  1  0  0  0  0
M  END

$$$$
D0N4HQ
  -OEChem-04152110402D

 54 51  0     0  0  0  0  0  0999 V2000
    5.4641    2.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 P   0  0  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
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    2.0000    0.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.5000    0.0000 O   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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  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  2  0  0  0  0
  2  8  1  0  0  0  0
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  7 21  1  0  0  0  0
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 10 29  1  0  0  0  0
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 11 30  1  0  0  0  0
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 19 21  2  0  0  0  0
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 19 25  1  0  0  0  0
 20 24  1  0  0  0  0
 20 27  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 22 26  2  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
 25 32  2  0  0  0  0
 25 39  1  0  0  0  0
 26 32  1  0  0  0  0
 27 30  1  0  0  0  0
 27 40  1  0  0  0  0
 28 29  2  0  0  0  0
 28 41  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  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
 33 45  1  0  0  0  0
 34 46  1  0  0  0  0
 34 47  1  0  0  0  0
 34 48  1  0  0  0  0
 35 49  1  0  0  0  0
 35 50  1  0  0  0  0
 35 51  1  0  0  0  0
 36 52  1  0  0  0  0
 36 53  1  0  0  0  0
 36 54  1  0  0  0  0
M  CHG  8   3   1   4   1   5   1   6   1  13  -1  14  -1  16  -1  17  -1
M  END

$$$$
D0N4IV
  -OEChem-04152110402D

 52 55  0     1  0  0  0  0  0999 V2000
    7.2566    1.6966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
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 10  7  1  1  0  0  0
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 10 16  1  0  0  0  0
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 13 17  2  0  0  0  0
 14 37  1  0  0  0  0
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 15 39  1  0  0  0  0
 17 20  1  0  0  0  0
 17 40  1  0  0  0  0
 18 21  2  0  0  0  0
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 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 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 24 27  3  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 28 30  1  0  0  0  0
 28 46  1  0  0  0  0
 29 31  2  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
M  END

$$$$
D0N4PW
          10021000062D 1   1.00000     0.00000     0

 31 34  0     0  0            999 V2000
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   -1.6912    1.6847    0.0000 N   0  0  0  0  0  0           0  0  0
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   -0.0963    2.0116    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.0201    2.0116    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5743    1.6908    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5743    1.0450    0.0000 C   0  0  0  0  0  0           0  0  0
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 26 29  1  0     0  0
 27 30  1  0     0  0
 25 31  1  0     0  0
  3 23  1  0     0  0
M  END

$$$$
D0N5CW
  -OEChem-02041520572D

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M  END

$$$$
D0N5JZ
  -OEChem-10101305022D

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 23 28  2  0  0  0  0
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 26 48  1  0  0  0  0
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 27 29  2  0  0  0  0
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 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 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

$$$$
D0N5KS
  -OEChem-10101305022D

 38 41  0     1  0  0  0  0  0999 V2000
   11.0828    0.5982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6664   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3658   -0.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2754   -1.6006    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
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 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D0N5LJ
  -OEChem-04152109282D

 53 55  0     1  0  0  0  0  0999 V2000
    3.5000    0.8170    0.0000 N   0  0  3  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 36  1  0  0  0  0
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 13 15  1  0  0  0  0
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 18 48  1  0  0  0  0
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 20 49  1  0  0  0  0
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 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
 24 53  1  0  0  0  0
M  END

$$$$
D0N5XI
  -OEChem-04152111362D

 74 76  0     1  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 10 39  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 52  1  0  0  0  0
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 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
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 19 56  1  0  0  0  0
 20 22  2  0  0  0  0
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 21 25  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 58  1  0  0  0  0
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 27 29  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
 29 30  2  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
M  END

$$$$
D0N5YD
  -OEChem-10101305032D

 37 38  0     1  0  0  0  0  0999 V2000
    3.3977    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1719    2.6288    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137    7.3271    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7954    4.2683    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333    4.2925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4506    3.0901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    5.9864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3993    5.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653    4.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653    6.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1313    4.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0253    4.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9506    3.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9314    4.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9314    5.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8624    5.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3977    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  0  0  0  0
  2 15  2  0  0  0  0
  3 17  1  0  0  0  0
  4 20  1  0  0  0  0
  8  5  1  1  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
  6 33  1  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  9  1  0  0  0  0
  8 10  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 12  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
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 11 28  1  0  0  0  0
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 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
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 16 20  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 18 30  1  0  0  0  0
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 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D0N6CS
  -OEChem-04152111002D

 28 29  0     0  0  0  0  0  0999 V2000
    4.6660   -2.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3991    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  2  0  0  0  0
  4 19  1  0  0  0  0
  4 28  1  0  0  0  0
  5 19  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
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  7 24  1  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
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 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  1  0  0  0  0
 16 17  2  0  0  0  0
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 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

$$$$
D0N6EA
          08300600082D 1   1.00000     0.00000     0

 23 25  0     1  0            999 V2000
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    3.3083   -0.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9208   -1.2167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1958   -0.7792    0.0000 C   0  0  2  0  0  0           0  0  0
    3.9250    0.2083    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5417   -0.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3083   -0.8625    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5042    0.4542    0.0000 S   0  0  0  0  0  0           0  0  0
    4.5417   -0.8625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7000    0.2000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4750    0.2000    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5542   -0.1625    0.0000 C   0  0  1  0  0  0           0  0  0
    2.7000   -1.2167    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.2042    0.4542    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.2625   -0.1667    0.0000 O   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
  3 11  2  0     0  0
  4  8  1  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
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  8  3  1  0     0  0
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 10  4  2  0     0  0
 11 15  1  0     0  0
 12  2  1  0     0  0
 13  5  1  0     0  0
 14 20  1  0     0  0
 15 12  1  0     0  0
 16 13  1  0     0  0
 17  7  2  0     0  0
  1 18  1  6     0  0
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 20 15  2  0     0  0
 13 21  1  6     0  0
 22  4  1  0     0  0
  2 23  1  6     0  0
 16  9  1  0     0  0
  8 14  2  0     0  0
  7 10  1  0     0  0
M  END

$$$$
D0N6NM
  -OEChem-04152111362D

 79 83  0     1  0  0  0  0  0999 V2000
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    7.6943    0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
 41 79  1  0  0  0  0
M  END

$$$$
D0N6SO
  -OEChem-04152110172D

 46 48  0     1  0  0  0  0  0999 V2000
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 25 46  1  0  0  0  0
M  END

$$$$
D0N6UP
  -OEChem-02041521162D

 29 29  0     0  0  0  0  0  0999 V2000
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 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END

$$$$
D0N6VS
  -OEChem-04152110492D

 68 72  0     1  0  0  0  0  0999 V2000
    5.4411   -0.5346    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 41 43  2  0  0  0  0
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 45 63  1  0  0  0  0
 46 64  1  0  0  0  0
M  CHG  4   5   1   6   1  15  -1  16  -1
M  END

$$$$
D0N6ZP
          01210517122D 1   1.00000     0.00000     0

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M  END

$$$$
D0N7BL
  Mrv0541 05211314572D          

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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  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
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  2 11  2  0  0  0  0
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 13 14  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 18  1  0  0  0  0
  6 16  1  0  0  0  0
  8 21  1  0  0  0  0
  7 22  1  0  0  0  0
M  ENDM  END

$$$$
D0N7DQ
  -OEChem-04152110542D

 36 37  0     0  0  0  0  0  0999 V2000
    6.0290   -1.0347    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
    6.9350   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9350   -0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4317   -1.3888    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
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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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    4.2690    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -1.0000    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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  3  8  1  0  0  0  0
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  4  5  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 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  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
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 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 16  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
 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  END

$$$$
D0N7JP
  -OEChem-04152122242D

 27 30  0     0  0  0  0  0  0999 V2000
    3.0000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.0000    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  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
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  3 11  1  0  0  0  0
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  3 15  1  0  0  0  0
  4 13  2  0  0  0  0
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  5 15  2  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
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  8 18  1  0  0  0  0
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 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
 12 27  1  0  0  0  0
M  END

$$$$
D0N7WG
  -OEChem-04152122242D

555561  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0N7WW
  -OEChem-10111523112D

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M  END

$$$$
D0N8JG
  -OEChem-02061504252D

 99106  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0N8QK
  -OEChem-10111523102D

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M  END

$$$$
D0N8RV
  -OEChem-10101305032D

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 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  END

$$$$
D0N8UY
          02031000402D 1   1.00000     0.00000     0

 41 45  0     0  0            999 V2000
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 11  8  1  0     0  0
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 17  6  2  0     0  0
 18 16  1  0     0  0
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 20  3  1  0     0  0
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 22  8  2  0     0  0
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 25  9  1  0     0  0
 26  9  1  0     0  0
 27 10  1  0     0  0
 28 10  1  0     0  0
 29 10  1  0     0  0
 30 21  1  0     0  0
 31  7  2  0     0  0
 32 11  1  0     0  0
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 40 32  2  0     0  0
 41 40  1  0     0  0
  2  5  1  0     0  0
 39 33  2  0     0  0
 23 35  2  0     0  0
 41 38  2  0     0  0
 13 15  1  0     0  0
M  END

$$$$
D0N9PL
  -OEChem-10101305032D

 21 21  0     0  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
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  3 14  1  0  0  0  0
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  7 10  1  0  0  0  0
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 10 16  1  0  0  0  0
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 10 18  1  0  0  0  0
 11 12  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

$$$$
D0N9TY
  -OEChem-02061504192D

 80 84  0     0  0  0  0  0  0999 V2000
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 41 44  1  0  0  0  0
 43 79  1  0  0  0  0
 44 80  1  0  0  0  0
M  END

$$$$
D0N9VZ
  -OEChem-04152111352D

 59 61  0     0  0  0  0  0  0999 V2000
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 30 58  1  0  0  0  0
M  END

$$$$
D0ND9T
  -OEChem-04152110562D

 42 46  0     1  0  0  0  0  0999 V2000
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 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D0NE3W
  -OEChem-04152110152D

 42 43  0     1  0  0  0  0  0999 V2000
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   11.1972   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
 10  4  1  1  0  0  0
  4 35  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  6 12  2  0  0  0  0
  7 12  1  0  0  0  0
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  7 34  1  0  0  0  0
  8 27  3  0  0  0  0
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 10 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 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  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 17 37  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 38  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 28  1  0  0  0  0
M  END

$$$$
D0NL5M
  -OEChem-02061503572D

 20 20  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 Cl  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
    5.4641    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
    3.7320    0.0000    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
    4.5981   -0.5000    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
    3.7320   -2.0000    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    3.0000    0.0000 C   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
    5.1350   -0.1900    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
    5.1350   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1541    3.5369    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 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  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 14  1  0  0  0  0
  8 10  2  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 17  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

$$$$
D0NN5A
  -OEChem-10101305022D

 56 59  0     1  0  0  0  0  0999 V2000
    8.0622    5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    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
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    2.8660   -3.7500    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
    7.1962   -0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -3.7500    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
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    3.7320   -3.2500    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
    7.1962   -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
    7.1962    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
    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
    6.6592    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6728   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8162   -3.2500    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 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  2  0  0  0  0
  4  9  1  0  0  0  0
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  5 27  1  0  0  0  0
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  6 29  1  0  0  0  0
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  8 32  1  0  0  0  0
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 10 35  1  0  0  0  0
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 13 40  1  0  0  0  0
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 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 18 45  1  0  0  0  0
 19 24  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 46  1  0  0  0  0
 22 47  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
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 28  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  2  0  0  0  0
 27 53  1  0  0  0  0
 29 31  2  0  0  0  0
 29 54  1  0  0  0  0
 30 31  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END

$$$$
D0NN5H
  -OEChem-10101305022D

 70 73  0     1  0  0  0  0  0999 V2000
   10.3435    4.1338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4467    2.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6168    2.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8024    5.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901    4.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    4.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863    8.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863   10.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5345    5.7216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222    4.1893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4005    7.2216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6223    2.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4005    6.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222    5.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6468    3.2797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0869    5.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0650    2.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7932    1.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9374    5.9116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9812    1.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 38 66  1  0  0  0  0
 39 65  1  0  0  0  0
M  END

$$$$
D0NN8N
  -OEChem-10101305022D

 44 45  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0NP8P
  -OEChem-03141904482D

154162  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0NR7H
  -OEChem-04152110092D

 62 65  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0NS3O
  -OEChem-03141904542D

 28 29  0     0  0  0  0  0  0999 V2000
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 18 28  1  0  0  0  0
M  END

$$$$
D0NS6Z
  -OEChem-03141904462D

 46 49  0     0  0  0  0  0  0999 V2000
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 29 42  1  0  0  0  0
M  END

$$$$
D0NS8T
  -OEChem-04152111022D

 71 74  0     1  0  0  0  0  0999 V2000
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 37 66  1  0  0  0  0
 38 67  1  0  0  0  0
 39 68  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
M  END

$$$$
D0NU0U
  -OEChem-10121501442D

 67 70  0     1  0  0  0  0  0999 V2000
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 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
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 30 32  1  0  0  0  0
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 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
M  END

$$$$
D0NU6Y
          01210517112D 1   1.00000     0.00000     0

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

$$$$
D0NU8J
  -OEChem-04152111322D

 38 40  0     1  0  0  0  0  0999 V2000
    6.3301    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.0000    0.0000 O   0  0  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
    8.1424    1.8047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.7260    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
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 12  2  1  6  0  0  0
 13  3  1  6  0  0  0
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 10  5  1  6  0  0  0
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 10 11  1  0  0  0  0
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 13 29  1  0  0  0  0
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 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 33  1  0  0  0  0
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 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 25 38  1  0  0  0  0
M  END

$$$$
D0NV5O
  -OEChem-03141904532D

 50 52  0     1  0  0  0  0  0999 V2000
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    6.9858   -0.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4827    0.0000 C   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
 27 50  1  0  0  0  0
M  END

$$$$
D0NW8C
  -OEChem-03141904452D

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  6  9  1  0  0  0  0
M  END

$$$$
D0O0BM
          08210901242D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
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 13 14  1  0     0  0
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 14 15  1  0     0  0
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 10  9  1  0     0  0
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  9 27  1  6     0  0
 11 13  1  6     0  0
 10 28  1  6     0  0
M  END

$$$$
D0O0JB
          11231000062D 1   1.00000     0.00000     0

123126  0     0  0            999 V2000
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103123  2  0     0  0
M  END

$$$$
D0O0JP
  -OEChem-10111523192D

 67 71  0     1  0  0  0  0  0999 V2000
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 38 67  1  0  0  0  0
M  END

$$$$
D0O0LC
  -OEChem-10101305022D

 29 28  0     0  0  0  0  0  0999 V2000
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 10 28  1  0  0  0  0
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 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D0O0LQ
  -OEChem-10121500402D

 77 81  0     1  0  0  0  0  0999 V2000
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 38 77  1  0  0  0  0
M  END

$$$$
D0O0PY
          01240521492D 1   1.00000     0.00000     0

 29 32  0     0  0            999 V2000
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 10  4  1  0     0  0
 11  8  2  0     0  0
 12  2  2  0     0  0
 13  3  2  0     0  0
 14 16  2  0     0  0
 15 10  1  0     0  0
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 17 15  2  0     0  0
 18 14  1  0     0  0
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 20 11  1  0     0  0
 21 15  1  0     0  0
 22  6  1  0     0  0
 23  9  1  0     0  0
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 28 25  1  0     0  0
 29 25  1  0     0  0
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M  END

$$$$
D0O1HL
          01210517112D 1   1.00000     0.00000     0

 35 35  0     1  0            999 V2000
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  3 10  1  1     0  0
 11  7  1  0     0  0
 12  8  1  0     0  0
 13  9  1  0     0  0
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M  END

$$$$
D0O1IM
  -OEChem-04152110432D

 41 44  0     0  0  0  0  0  0999 V2000
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 25 41  1  0  0  0  0
M  END

$$$$
D0O1LD
  -OEChem-10121501492D

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 30 51  1  0  0  0  0
M  END

$$$$
D0O1LU
  -OEChem-04152111022D

 71 74  0     1  0  0  0  0  0999 V2000
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 36 37  2  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
M  END

$$$$
D0O1ZI
  -OEChem-10111523152D

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 30 31  1  0  0  0  0
M  END

$$$$
D0O2AG
          01210517112D 1   1.00000     0.00000     0

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

$$$$
D0O2XJ
  -OEChem-04152122262D

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M  END

$$$$
D0O2XQ
  -OEChem-10121501582D

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M  END

$$$$
D0O3CV
  -OEChem-10121501472D

153156  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0O3CX
  -OEChem-04152122322D

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 38 39  1  0  0  0  0
 38 64  1  0  0  0  0
 39 65  1  0  0  0  0
M  END

$$$$
D0O3OI
  -OEChem-04152111142D

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M  END

$$$$
D0O3QW
          11030900062D 1   1.00000     0.00000     0

 52 55  0     1  0            999 V2000
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   10.4375   -3.5917    0.0000 S   0  0  3  0  0  0           0  0  0
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M  END

$$$$
D0O3TC
          11120800062D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
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 17 18  1  0     0  0
 17 19  2  0     0  0
  8 10  1  0     0  0
 15 16  1  0     0  0
M  END

$$$$
D0O4NJ
  -OEChem-04152110532D

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 20 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

$$$$
D0O4NR
  -OEChem-10111523492D

 56 55  0     1  0  0  0  0  0999 V2000
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   12.3923    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6044    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0029    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1803    2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  1  0  0  0
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 17  2  1  1  0  0  0
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 16 46  1  0  0  0  0
 17 19  1  0  0  0  0
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 18 21  2  0  0  0  0
 18 48  1  0  0  0  0
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 19 49  1  0  0  0  0
 21 23  1  0  0  0  0
 21 51  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  2  0  0  0  0
 23 53  1  0  0  0  0
 24 55  1  0  0  0  0
M  END

$$$$
D0O4WB
  -OEChem-04152110412D

 30 31  0     1  0  0  0  0  0999 V2000
    4.1828   -0.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578   -3.2094    0.0000 O   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 21  1  0  0  0  0
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 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D0O5GK
  -OEChem-04152111102D

 48 51  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0O6HP
  -OEChem-10191522552D

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M  END

$$$$
D0O6NA
  -OEChem-04152111082D

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    4.9827    4.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 17  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
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  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 35  1  0  0  0  0
 20 36  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
 22 37  1  0  0  0  0
 23 27  2  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
 25 42  1  0  0  0  0
 25 43  1  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

$$$$
D0O6RK
  -OEChem-04152111112D

 25 25  0     0  0  0  0  0  0999 V2000
    3.7320   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    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
    6.3301   -0.5000    0.0000 N   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
    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
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6182    0.5369    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 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  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  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 13  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 12 14  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 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D0O6VZ
  -OEChem-10101305022D

 65 69  0     1  0  0  0  0  0999 V2000
    8.6793    0.1997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629    3.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7629    3.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7379    1.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8455   -0.8171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26  4  1  1  0  0  0
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 10 33  2  0  0  0  0
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 30 32  1  0  0  0  0
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 32 34  2  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
M  END

$$$$
D0O6WV
  -OEChem-10121501492D

 55 58  0     0  0  0  0  0  0999 V2000
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 26 30  1  0  0  0  0
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 29 48  1  0  0  0  0
 31 49  1  0  0  0  0
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 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 52  1  0  0  0  0
 36 53  1  0  0  0  0
M  END

$$$$
D0O6ZO
          01260600232D 1   1.00000     0.00000     0

 29 32  0     0  0            999 V2000
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    0.2500    1.3250    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.3250    1.7333    0.0000 S   0  0  0  0  0  0           0  0  0
   -0.1125    2.4083    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5708   -0.4500    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.2583    0.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4292    1.3875    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3458   -0.4458    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2667   -0.8000    0.0000 N   0  0  0  0  0  0           0  0  0
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   -1.5750    0.2583    0.0000 O   0  0  0  0  0  0           0  0  0
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  2  1  2  0     0  0
  3  1  1  0     0  0
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  5  3  2  0     0  0
  6  7  1  0     0  0
  7 10  1  0     0  0
  8  2  1  0     0  0
  9  1  1  0     0  0
 10 12  1  0     0  0
 11 16  1  0     0  0
 12  8  2  0     0  0
 13  6  2  0     0  0
 14  9  1  0     0  0
 15  6  1  0     0  0
 16 18  2  0     0  0
 17 14  2  0     0  0
 18  8  1  0     0  0
 19  5  1  0     0  0
 20  9  2  0     0  0
 21 20  1  0     0  0
 22 15  1  0     0  0
 23 15  2  0     0  0
 24 17  1  0     0  0
 25 17  1  0     0  0
 26 19  1  0     0  0
 27 23  1  0     0  0
 28 22  2  0     0  0
 29 27  2  0     0  0
  4  5  1  0     0  0
 24 21  2  0     0  0
 11 10  2  0     0  0
 28 29  1  0     0  0
M  END

$$$$
D0O7HP
  -OEChem-10191521152D

 44 46  0     1  0  0  0  0  0999 V2000
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    7.1962   -2.5675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
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 10 27  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D0O7QA
  -OEChem-04152111222D

 43 46  0     0  0  0  0  0  0999 V2000
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 31 43  1  0  0  0  0
M  END

$$$$
D0O7RY
          02011100082D 1   1.00000     0.00000     0

112113  0     1  0            999 V2000
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M  END

$$$$
D0O8BS
  -OEChem-10111523152D

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 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
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 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
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 31 32  1  0  0  0  0
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 33 34  2  0  0  0  0
 33 35  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

$$$$
D0O8FW
  -OEChem-10101305022D

 51 54  0     1  0  0  0  0  0999 V2000
    2.5357   -2.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1857    2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968   -0.0785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
M  END

$$$$
D0O8JW
          01291101272D 1   1.00000     0.00000     0

 30 33  0     0  0            999 V2000
    7.0083   -1.6208    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0042   -0.4667    0.0000 N   0  0  3  0  0  0           0  0  0
    7.4250   -1.0417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3292   -0.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3292   -1.4000    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0042   -2.3292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6125   -2.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2292   -2.3375    0.0000 N   0  0  0  0  0  0           0  0  0
    8.8417   -2.6958    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8333   -3.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4500   -2.3458    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0000    0.2458    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.0583   -3.4125    0.0000 N   0  0  0  0  0  0           0  0  0
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    6.3875   -2.6750    0.0000 O   0  0  0  0  0  0           0  0  0
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  2  3  1  0     0  0
  3  1  2  0     0  0
  4  5  2  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
 10  9  2  0     0  0
 11  9  1  0     0  0
 12  2  1  0     0  0
 13  4  1  0     0  0
 14 22  1  0     0  0
 15  7  2  0     0  0
 16  6  2  0     0  0
 17 12  1  0     0  0
 18 10  1  0     0  0
 19 11  1  0     0  0
 20 28  1  0     0  0
 21 10  1  0     0  0
 22 11  2  0     0  0
 23 20  1  0     0  0
 24  5  1  0     0  0
 25 17  1  0     0  0
 26 17  2  0     0  0
 27 26  1  0     0  0
 28 25  2  0     0  0
 29 30  1  0     0  0
 30 24  2  0     0  0
  2  4  1  0     0  0
 13 29  2  0     0  0
 14 21  2  0     0  0
 20 27  2  0     0  0
M  END

$$$$
D0O8TJ
  -OEChem-03141904522D

 48 51  0     1  0  0  0  0  0999 V2000
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  1 11  1  0  0  0  0
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 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  6  0  0  0
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 12 33  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 34  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 20  2  0  0  0  0
 18 21  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 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  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 38  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
M  END

$$$$
D0O8UB
  -OEChem-04152111232D

 42 44  0     1  0  0  0  0  0999 V2000
    2.1340   -3.5201    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -2.6541    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000   -5.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5000   -2.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000   -1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -4.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000    2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000    3.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.9081    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 12  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  5 22  2  0  0  0  0
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  7 37  1  0  0  0  0
  8 18  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 23  2  0  0  0  0
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 10 28  3  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  6  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  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 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  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 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 27  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 28  1  0  0  0  0
M  END

$$$$
D0O9LN
  -OEChem-04152122292D

 43 46  0     1  0  0  0  0  0999 V2000
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   10.3984    0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2022   -1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9343    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4022   -1.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9353    0.0523    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 19  1  0  0  0  0
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 10 15  2  0  0  0  0
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 13 20  1  0  0  0  0
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 15 22  1  0  0  0  0
 15 33  1  0  0  0  0
 16 23  2  0  0  0  0
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 20 24  2  0  0  0  0
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 22 25  2  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D0O9PQ
  -OEChem-10121501452D

 70 73  0     0  0  0  0  0  0999 V2000
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 30 33  1  0  0  0  0
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 31 35  1  0  0  0  0
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 33 34  2  0  0  0  0
 33 68  1  0  0  0  0
 34 69  1  0  0  0  0
 35 36  2  0  0  0  0
 36 70  1  0  0  0  0
M  END

$$$$
D0O9UC
  -OEChem-10121501492D

 80 83  0     0  0  0  0  0  0999 V2000
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 30 69  1  0  0  0  0
 31 35  1  0  0  0  0
 31 70  1  0  0  0  0
 32 36  2  0  0  0  0
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 35 37  2  0  0  0  0
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 36 75  1  0  0  0  0
 37 39  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

$$$$
D0O9VW
          01220516162D 1   1.00000     0.00000     0

 20 21  0     1  0            999 V2000
    2.1542   -3.5792    0.0000 C   0  0  3  0  0  0           0  0  0
    4.6125   -2.1667    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  7  1  0     0  0
  3  2  1  0     0  0
  4  6  1  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7 12  1  0     0  0
  8  2  2  0     0  0
  9  5  2  0     0  0
 10  5  1  0     0  0
 11  9  1  0     0  0
 12 10  2  0     0  0
 13  1  1  0     0  0
 14  1  1  0     0  0
 15  1  1  0     0  0
  3 16  1  1     0  0
 17  4  1  0     0  0
 18  4  1  0     0  0
 19 18  1  0     0  0
 20 17  1  0     0  0
 11  7  2  0     0  0
 20 19  1  0     0  0
M  END

$$$$
D0O9XN
  -OEChem-10191522592D

 62 64  0     0  0  0  0  0  0999 V2000
    2.8660   -5.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 50  1  0  0  0  0
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 27 32  1  0  0  0  0
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 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 53  1  0  0  0  0
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 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
M  END

$$$$
D0OA5G
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END

$$$$
D0OC4O
  -OEChem-04152122312D

 71 74  0     1  0  0  0  0  0999 V2000
    6.4010   -3.6519    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  1  0  0  0  0
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 40 42  1  0  0  0  0
 41 68  1  0  0  0  0
 41 69  1  0  0  0  0
 41 70  1  0  0  0  0
M  END

$$$$
D0OG4A
  -OEChem-04152110382D

117119  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0OH2H
  -OEChem-04152111262D

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  1 13  1  0  0  0  0
  1 24  1  0  0  0  0
  2 17  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  2  0  0  0  0
  4 17  2  0  0  0  0
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  7  8  1  0  0  0  0
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  7 29  1  1  0  0  0
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 18 32  1  0  0  0  0
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 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
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 25 43  1  0  0  0  0
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 26 45  1  0  0  0  0
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 27 28  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

$$$$
D0OH2W
  -OEChem-04152110132D

 50 54  0     0  0  0  0  0  0999 V2000
    7.2641    1.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8109   -1.9118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8327   -1.7039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2655    2.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6418   -0.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3109   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000    2.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2176   -2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1065    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8007    0.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9061    0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3144    2.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0086    1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9275   -0.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3991    1.1007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -0.5193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7966    0.3157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6512   -3.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4698   -3.3917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7840   -2.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5169    1.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2615    0.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8537    2.7377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5983    2.1543    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  3  1  0  0  0  0
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  3  6  2  0  0  0  0
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 15 35  1  0  0  0  0
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 17 23  1  0  0  0  0
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 21 41  1  0  0  0  0
 22 28  2  0  0  0  0
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 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
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 25 29  1  0  0  0  0
 25 45  1  0  0  0  0
 26 30  1  0  0  0  0
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 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D0OK2N
  -OEChem-10101305022D

 46 50  0     0  0  0  0  0  0999 V2000
    6.3465    0.3662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -1.7366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9739   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3837   -1.7180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6774   -2.6677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.4354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951   -1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067   -0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6714   -2.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3306   -3.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114   -3.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0737   -3.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 20 23  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
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 26 28  2  0  0  0  0
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 27 28  1  0  0  0  0
 27 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
 29 46  1  0  0  0  0
M  END

$$$$
D0OK4O
  -OEChem-03141904492D

600608  0     1  0  0  0  0  0999 V2000
   12.9110    3.5047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6095    2.0053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8688    3.4008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5117    1.9505    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3198    0.5305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4020    1.0242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3312   -1.8725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.4134   -8.4814    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.9841    3.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1942    5.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1483    3.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5757    5.1516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6374    3.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1383    2.6633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7990    5.8203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9900    4.9507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9547    2.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4844    4.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7792    5.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1976    0.2303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5077   -0.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0OP8W
  -OEChem-10121500432D

 60 65  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
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
M  END

$$$$
D0OQ8Q
  -OEChem-03141904492D

 76 76  0     1  0  0  0  0  0999 V2000
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 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
M  END

$$$$
D0OR3G
  -OEChem-03141904532D

 61 64  0     1  0  0  0  0  0999 V2000
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  1 25  1  0  0  0  0
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 10  5  1  6  0  0  0
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 11  6  1  6  0  0  0
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 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
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 19 48  1  0  0  0  0
 20 23  2  0  0  0  0
 20 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 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 23 52  1  0  0  0  0
 24 27  1  0  0  0  0
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 24 54  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 29 31  1  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 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END

$$$$
D0OR5P
  -OEChem-04152110402D

 32 33  0     1  0  0  0  0  0999 V2000
    3.6377   -0.6634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8978   -1.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068   -0.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1788    0.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3128    2.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    3.9244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467   -1.6144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.9467   -1.6144    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
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  9  2  1  6  0  0  0
  2 25  1  0  0  0  0
 10  3  1  6  0  0  0
  3 26  1  0  0  0  0
  4 13  1  0  0  0  0
  4 28  1  0  0  0  0
  5 16  2  0  0  0  0
 12  6  1  1  0  0  0
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  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  1  0  0  0
 11 21  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 18  3  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D0OR8W
  SciTegic11301210262D

 35 38  0  0  1  0            999 V2000
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    3.8750    1.0458    0.0000 C   0  0  1  0  0  0
    1.3500   -0.2417    0.0000 C   0  0  2  0  0  0
    2.5875   -0.2417    0.0000 C   0  0  1  0  0  0
    3.2000    0.1125    0.0000 C   0  0  2  0  0  0
    1.9667    0.1125    0.0000 C   0  0  2  0  0  0
    1.3500   -0.9542    0.0000 C   0  0
    4.5542    1.2333    0.0000 O   0  0
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    1.9667    0.8250    0.0000 C   0  0  2  0  0  0
    0.7375    0.1125    0.0000 C   0  0
    5.0542    0.7333    0.0000 C   0  0
    4.1000    1.7208    0.0000 C   0  0
    0.7375   -1.3125    0.0000 C   0  0
    4.2917    0.4708    0.0000 C   0  0
    3.8750   -0.1042    0.0000 C   0  0
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    0.1167   -0.9542    0.0000 C   0  0
    1.9667   -1.3125    0.0000 C   0  0
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    3.6292    2.2583    0.0000 O   0  0
   -0.5000   -1.3125    0.0000 O   0  0
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  2  1  1  0
  3  6  1  0
  4  5  1  0
  5  1  1  0
  6 10  1  0
  7  3  1  0
  8  2  1  0
  9  1  1  0
 10  9  1  0
 11  3  1  0
 12  8  1  0
  2 13  1  1
 14  7  2  0
 15  2  1  0
 16  5  1  0
 17  4  1  0
 18 11  2  0
 19 12  1  0
 20 18  1  0
 21 17  1  0
 22 12  2  0
 23 13  2  0
 24 20  2  0
  1 25  1  1
 10 26  1  1
 27 19  1  0
 28 19  1  0
 29 13  1  0
  3 30  1  1
 31 29  1  0
 32 31  1  0
  6 33  1  6
  4 34  1  1
  5 35  1  6
 15 16  1  0
  6  4  1  0
 21  7  1  0
 20 14  1  0
M  END

$$$$
D0OS6P
  -OEChem-03141904512D

 30 32  0     0  0  0  0  0  0999 V2000
    4.6660   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4260    0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.1297    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
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  2 30  1  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
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  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 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  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 17  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 29  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D0OS8C
          01280517572D 1   1.00000     0.00000     0

 42 46  0     1  0            999 V2000
    3.0042   -2.8750    0.0000 C   0  0  2  0  0  0           0  0  0
    1.1500   -3.9250    0.0000 C   0  0  2  0  0  0           0  0  0
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  2  6  1  0     0  0
  3  1  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  6 10  1  0     0  0
  7 24  1  0     0  0
  8  2  1  0     0  0
  9  1  1  0     0  0
 10  9  1  0     0  0
 11  2  1  0     0  0
 12  3  1  0     0  0
 13  8  2  0     0  0
 14 23  1  0     0  0
 15  3  1  0     0  0
 16  5  1  0     0  0
 17  4  1  0     0  0
 18 11  2  0     0  0
 19 18  1  0     0  0
 20  7  1  0     0  0
 21  7  2  0     0  0
 22 17  1  0     0  0
 23 26  1  0     0  0
 24 37  1  0     0  0
 25 14  1  0     0  0
 26 12  1  0     0  0
 27 14  2  0     0  0
 28 12  2  0     0  0
 29 19  2  0     0  0
  3 30  1  6     0  0
 31 25  2  0     0  0
 32 25  1  0     0  0
  1 33  1  1     0  0
 10 34  1  1     0  0
 35 38  1  0     0  0
  2 36  1  1     0  0
 37 35  1  0     0  0
 38 32  2  0     0  0
 39 31  1  0     0  0
  4 40  1  1     0  0
  5 41  1  6     0  0
  6 42  1  6     0  0
 15 16  1  0     0  0
  6  4  1  0     0  0
  8 22  1  0     0  0
 13 19  1  0     0  0
 35 39  2  0     0  0
M  CHG  2   7   1  20  -1
M  END

$$$$
D0OU0S
  -OEChem-04152111152D

 27 27  0     0  0  0  0  0  0999 V2000
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  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  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
  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
 11 13  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 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END

$$$$
D0OW4A
  -OEChem-02041521332D

136140  0     1  0  0  0  0  0999 V2000
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 68 69  2  0  0  0  0
 68134  1  0  0  0  0
 69136  1  0  0  0  0
M  END

$$$$
D0OW9L
  -OEChem-04152111132D

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 32 59  1  0  0  0  0
M  END

$$$$
D0OX9F
  -OEChem-03141904522D

 42 44  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0OY5G
  -OEChem-10101305032D

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M  END

$$$$
D0OZ7P
  -OEChem-10101305032D

105111  0     1  0  0  0  0  0999 V2000
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 55102  1  0  0  0  0
M  END

$$$$
D0P0KN
  -OEChem-10101305022D

 52 55  0     1  0  0  0  0  0999 V2000
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  1 16  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END

$$$$
D0P0TA
  -OEChem-10101305032D

680685  0     1  0  0  0  0  0999 V2000
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319328  1  0  0  0  0
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321331  1  0  0  0  0
321641  1  0  0  0  0
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323646  1  0  0  0  0
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324654  1  0  0  0  0
324655  1  0  0  0  0
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325651  1  0  0  0  0
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326657  1  0  0  0  0
326658  1  0  0  0  0
328659  1  0  0  0  0
328660  1  0  0  0  0
328661  1  0  0  0  0
329333  1  0  0  0  0
329334  1  0  0  0  0
329664  1  0  0  0  0
330332  1  0  0  0  0
332667  1  0  0  0  0
332668  1  0  0  0  0
334673  1  0  0  0  0
334674  1  0  0  0  0
334675  1  0  0  0  0
335677  1  0  0  0  0
335678  1  0  0  0  0
335679  1  0  0  0  0
M  END

$$$$
D0P1CV
          08201002192D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
    4.8500   -0.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8542   -0.7750    0.0000 C   0  0  3  0  0  0           0  0  0
    5.4655   -0.4173    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7941   -1.4590    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1389   -2.0777    0.0000 C   0  0  3  0  0  0           0  0  0
    6.1575   -0.8510    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7720   -2.6846    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1139   -3.3015    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8223   -3.3159    0.0000 N   0  0  3  0  0  0           0  0  0
    7.1877   -2.7081    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8445   -2.0859    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1648   -3.9360    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0858   -1.4482    0.0000 N   0  0  3  0  0  0           0  0  0
    3.2333   -1.4767    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5700   -0.3795    0.0000 N   0  0  0  0  0  0           0  0  0
    3.0034   -0.8086    0.0000 N   0  0  0  0  0  0           0  0  0
    4.1501   -0.7903    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9415   -1.4654    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5191   -1.8723    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8265   -2.0566    0.0000 N   0  0  0  0  0  0           0  0  0
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    1.7682   -1.4334    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7569   -2.6602    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0599   -1.4268    0.0000 C   0  0  3  0  0  0           0  0  0
    0.7000   -2.0369    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7115   -0.8101    0.0000 C   0  0  0  0  0  0           0  0  0
 14 18  1  0     0  0
  2  1  1  0     0  0
  4  5  1  0     0  0
  3  2  1  0     0  0
 17 15  1  0     0  0
 15 16  1  0     0  0
 16 14  2  0     0  0
 17 18  2  0     0  0
  4  6  2  0     0  0
  5 11  1  0     0  0
  7  8  1  0     0  0
 18 19  1  0     0  0
 19 13  1  0     0  0
 13  2  1  0     0  0
  2 17  1  0     0  0
  8  9  1  0     0  0
 14 20  1  0     0  0
  9 10  1  0     0  0
 20 21  1  0     0  0
 10 11  1  0     0  0
 21 22  1  0     0  0
  5  7  1  0     0  0
 21 23  2  0     0  0
  9 12  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
  4 13  1  0     0  0
 24 26  1  0     0  0
M  END

$$$$
D0P1IX
          05241100072D 1   1.00000     0.00000     0

 19 19  0     0  0            999 V2000
   -3.6750   -1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3167   -0.4875    0.0000 C   0  0  3  0  0  0           0  0  0
   -4.0263   -0.4834    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3875   -0.4875    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0958   -0.4875    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.7417   -1.1009    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7708    1.2875    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4792    1.2875    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.1250    0.6741    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3167    0.2208    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7046   -0.8417    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.0926    0.2208    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7046    0.5750    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.7046   -1.5500    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.7046    1.2833    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.0912    1.6375    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0912    2.3458    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.0792    1.5042    0.0000 H   0  0  0  0  0  0           0  0  0
   -3.3708    1.5042    0.0000 Cl  0  0  0  0  0  0           0  0  0
 10  2  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  2  1  1  0     0  0
 10 13  1  0     0  0
  2 11  1  0     0  0
 11  5  1  0     0  0
  5 12  1  0     0  0
 12 13  1  0     0  0
  3  2  1  0     0  0
 11 14  1  0     0  0
  8  7  1  0     0  0
 13 15  1  0     0  0
  9  8  1  0     0  0
 15 16  1  0     0  0
  7  9  1  0     0  0
 16 17  2  0     0  0
 16  8  1  0     0  0
 18 19  1  0     0  0
M  END

$$$$
D0P1JA
  SciTegic11301210262D

 26 28  0  0  0  0            999 V2000
   -1.9083   -1.9667    0.0000 C   0  0
   -1.9083   -1.0917    0.0000 N   0  0
   -2.6750   -2.4292    0.0000 N   0  0
   -2.6750   -0.6542    0.0000 N   0  0
   -1.1458   -0.6250    0.0000 C   0  0
    0.3917    0.2500    0.0000 C   0  0
    0.3917   -0.6250    0.0000 C   0  0
   -0.3750    0.6875    0.0000 C   0  0
   -3.4458   -1.0917    0.0000 C   0  0
   -3.4458   -1.9667    0.0000 C   0  0
   -0.3750   -1.0625    0.0000 C   0  0
   -1.1458    0.2500    0.0000 C   0  0
    1.1875    0.7208    0.0000 C   0  0
    1.1750    2.4958    0.0000 N   0  0
    1.1750    1.6333    0.0000 C   0  0
   -1.1125   -2.4042    0.0000 O   0  0
    1.9542    0.2833    0.0000 C   0  0
   -4.2333   -2.4292    0.0000 O   0  0
    1.1875   -1.0375    0.0000 Cl  0  0
   -0.3750    1.5958    0.0000 Cl  0  0
    1.9542   -0.6250    0.0000 C   0  0
    2.7167    0.7208    0.0000 C   0  0
    3.4792   -0.6000    0.0000 C   0  0
    2.7167   -1.0625    0.0000 C   0  0
    3.4792    0.2500    0.0000 C   0  0
    4.2792   -1.0375    0.0000 F   0  0
  2  1  1  0
  3  1  1  0
  4  2  1  0
  5  2  1  0
  6  8  1  0
  7 11  1  0
  8 12  2  0
  9 10  1  0
 10  3  1  0
 11  5  2  0
 12  5  1  0
 13  6  1  0
 14 15  3  0
 15 13  1  0
 16  1  2  0
 17 13  1  0
 18 10  2  0
 19  7  1  0
 20  8  1  0
 21 17  2  0
 22 17  1  0
 23 25  1  0
 24 21  1  0
 25 22  2  0
 26 23  1  0
  4  9  2  0
  7  6  2  0
 24 23  2  0
M  END

$$$$
D0P1YE
  -OEChem-10101305032D

 79 83  0     1  0  0  0  0  0999 V2000
    2.8660    4.0554    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.4446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -4.8106    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -3.0786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -4.8106    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -3.0786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9171    4.8106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5554    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603    3.5554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6603    2.5554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7942    2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7942    4.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    2.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901    3.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    3.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7502    1.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    1.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3176    3.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5940    1.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    4.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    4.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3554    1.6838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1439    1.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6510    2.6407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6510    3.4701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    4.6754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    3.5184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.3654    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
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 14 10  1  1  0  0  0
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 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 11 25  1  0  0  0  0
 12 20  1  0  0  0  0
 12 23  1  0  0  0  0
 12 27  1  0  0  0  0
 13 27  1  0  0  0  0
 30 13  1  1  0  0  0
 13 34  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 46  1  6  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 20  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 23  1  0  0  0  0
 18 51  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
 19 54  1  0  0  0  0
 20 26  1  0  0  0  0
 20 55  1  6  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 24  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
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 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  2  0  0  0  0
 29 64  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  0  0  0  0
 30 65  1  0  0  0  0
 31 35  2  0  0  0  0
 31 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 35  1  0  0  0  0
 33 70  1  0  0  0  0
 34 71  1  0  0  0  0
 34 72  1  0  0  0  0
 34 73  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 38 40  1  0  0  0  0
 38 77  1  0  0  0  0
 39 41  2  0  0  0  0
 39 78  1  0  0  0  0
 40 42  2  0  0  0  0
 40 44  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 79  1  0  0  0  0
M  END

$$$$
D0P2BD
  SciTegic11301210262D

 22 22  0  0  0  0            999 V2000
   -1.3208    1.4375    0.0000 C   0  0
   -2.3000    0.8583    0.0000 C   0  0
   -3.2583   -1.9167    0.0000 C   0  0
   -3.2583   -0.8042    0.0000 C   0  0
   -2.3000   -0.2542    0.0000 C   0  0
   -3.2583    1.4083    0.0000 N   0  0
   -4.2083   -2.4667    0.0000 O   0  0
   -1.3333    2.5458    0.0000 O   0  0
   -0.3625    0.8833    0.0000 N   0  0
   -2.3000   -2.4667    0.0000 N   0  0
   -4.2083    0.8583    0.0000 C   0  0
   -0.3958   -2.4667    0.0000 C   0  0
    1.5292    0.8833    0.0000 C   0  0
   -4.2083   -0.2542    0.0000 C   0  0
    1.5167   -2.4667    0.0000 O   0  0
    3.4792    0.8375    0.0000 O   0  0
    0.5917    1.4208    0.0000 C   0  0
   -1.3458   -1.9167    0.0000 C   0  0
    2.4792    1.4083    0.0000 C   0  0
    0.5542   -1.8792    0.0000 C   0  0
    2.4667   -1.8792    0.0000 C   0  0
    4.3417    1.3458    0.0000 C   0  0
  2  1  1  0
  3  4  1  0
  4  5  1  0
  5  2  2  0
  6  2  1  0
  7  3  2  0
  8  1  2  0
  9  1  1  0
 10  3  1  0
 11  6  2  0
 12 18  1  0
 13 17  1  0
 14 11  1  0
 15 20  1  0
 16 19  1  0
 17  9  1  0
 18 10  1  0
 19 13  1  0
 20 12  1  0
 21 15  1  0
 22 16  1  0
  4 14  2  0
M  END

$$$$
D0P2MF
  -OEChem-03141904512D

 31 33  0     0  0  0  0  0  0999 V2000
    6.9343   -1.2673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    2.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2644   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0682    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2022    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6663    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6663   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3984   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6663   -1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8013   -1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 17  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
  4 21  2  0  0  0  0
  5  6  2  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
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  2  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
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 14 25  1  0  0  0  0
 15 20  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D0P2QO
  -OEChem-10111523512D

 49 53  0     0  0  0  0  0  0999 V2000
    4.7600    2.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600    4.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    1.6136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8047   -1.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953   -1.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5523   -1.1047    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 25  1  0  0  0  0
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 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0P3JF
  -OEChem-04152111122D

 61 64  0     1  0  0  0  0  0999 V2000
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 26  7  1  1  0  0  0
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 26 31  1  0  0  0  0
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 27 30  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 53  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  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 34  1  0  0  0  0
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 33 35  2  0  0  0  0
 33 60  1  0  0  0  0
 34 36  2  0  0  0  0
 34 38  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 61  1  0  0  0  0
M  END

$$$$
D0P3PB
  -OEChem-04152111222D

 46 45  0     1  0  0  0  0  0999 V2000
   15.5273   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -1.7500    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
   12.9292   -0.7500    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
   13.7953   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6613   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -0.7500    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
   16.3933   -1.7500    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
    5.1350    0.7500    0.0000 C   0  0  2  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
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    2.5369    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  4  1  1  0  0  0
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 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  3  0  0  0  0
 22 46  1  0  0  0  0
M  END

$$$$
D0P3SJ
          04281002512D 1   1.00000     0.00000     0

 31 31  0     1  0            999 V2000
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    0.7251    1.2735    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7414    2.6642    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7328    1.2501    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7315    0.5652    0.0000 C   0  0  2  0  0  0           0  0  0
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  5  6  2  0     0  0
 13 15  1  0     0  0
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  1  2  2  0     0  0
 16 17  1  0     0  0
  5  7  1  0     0  0
 16 18  1  1     0  0
 17 19  1  0     0  0
  2  8  1  0     0  0
 19 20  1  0     0  0
  2  3  1  0     0  0
 19 21  2  0     0  0
  3  9  1  0     0  0
 20 22  2  0     0  0
 22 23  1  0     0  0
 10  7  1  1     0  0
 23 24  2  0     0  0
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 24 25  1  0     0  0
 10 11  1  0     0  0
 25 26  2  0     0  0
 26 20  1  0     0  0
 10 12  1  0     0  0
 27 28  1  0     0  0
  4  5  1  0     0  0
 28 29  1  0     0  0
 12 13  1  0     0  0
 28 30  2  0     0  0
 28 31  2  0     0  0
 12 14  2  0     0  0
M  END

$$$$
D0P3ZN
  -OEChem-04152111242D

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 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D0P5AA
  -OEChem-04152111302D

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 44 82  1  0  0  0  0
M  END

$$$$
D0P5CM
  -OEChem-04152111252D

 55 58  0     1  0  0  0  0  0999 V2000
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 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
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 32 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END

$$$$
D0P5TR
  -OEChem-04152109352D

 35 35  0     0  0  0  0  0  0999 V2000
    9.7942    0.2500    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
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    8.0622    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END

$$$$
D0P6DJ
  -OEChem-10121500422D

 40 43  0     0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 23 39  1  0  0  0  0
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 24 40  1  0  0  0  0
M  END

$$$$
D0P6GT
  -OEChem-10101305032D

 47 48  0     0  0  0  0  0  0999 V2000
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  1 47  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 21  1  0  0  0  0
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 16 33  1  0  0  0  0
 17 25  2  0  0  0  0
 18 21  1  0  0  0  0
 18 26  1  0  0  0  0
 19 24  1  0  0  0  0
 19 34  1  0  0  0  0
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 20 23  1  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
 23 42  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D0P8TS
  -OEChem-04152108542D

 44 45  0     1  0  0  0  0  0999 V2000
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  1 11  2  0  0  0  0
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 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END

$$$$
D0P9BT
  -OEChem-10101305022D

628676  0     1  0  0  0  0  0999 V2000
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372570  1  0  0  0  0
374572  1  0  0  0  0
374573  1  0  0  0  0
374574  1  0  0  0  0
375388  1  0  0  0  0
375571  1  0  0  0  0
376575  1  0  0  0  0
378390  1  0  0  0  0
378576  1  0  0  0  0
381391  2  0  0  0  0
382577  1  0  0  0  0
382578  1  0  0  0  0
382579  1  0  0  0  0
383580  1  0  0  0  0
384582  1  0  0  0  0
385583  1  0  0  0  0
387584  1  0  0  0  0
387585  1  0  0  0  0
387586  1  0  0  0  0
389395  1  0  0  0  0
389587  1  0  0  0  0
391400  1  0  0  0  0
392397  1  0  0  0  0
392589  1  0  0  0  0
393398  1  0  0  0  0
393592  1  0  0  0  0
394399  1  0  0  0  0
396596  1  0  0  0  0
399402  2  0  0  0  0
403624  1  0  0  0  0
M  CHG  8   4  -1  93  -1  94  -1  96  -1  99  -1 100  -1 102  -1 103  -1
M  CHG  8 104  -1 105  -1 106  -1 107  -1 108  -1 110  -1 111  -1 113  -1
M  CHG  3 119  -1 127  -1 128  -1
M  END

$$$$
D0P9KA
  MDL     03120710462D 1   1.00000     0.00000     0

 44 45  0     0  0            999 V2000
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  2  3  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  6  1  0     0  0
  6  4  1  0     0  0
  7  3  1  0     0  0
  8 12  1  0     0  0
  9  1  1  0     0  0
 10  2  1  0     0  0
 11  7  2  0     0  0
 12 11  1  0     0  0
 13  7  1  0     0  0
 14  8  1  0     0  0
 15  8  2  0     0  0
 16  9  2  0     0  0
 17 10  2  0     0  0
 18 19  1  0     0  0
 19 13  2  0     0  0
 20 26  1  0     0  0
 21 10  1  0     0  0
 22  9  1  0     0  0
 23  5  1  0     0  0
 24  4  1  0     0  0
 25 32  1  0     0  0
 26 25  1  0     0  0
 27 33  1  0     0  0
 28 20  1  0     0  0
 30 13  1  0     0  0
 31 25  1  0     0  0
 32 27  1  0     0  0
 33 39  1  0     0  0
 34 30  1  0     0  0
 35 22  1  0     0  0
 36 21  1  0     0  0
 37 28  2  0     0  0
 38 28  1  0     0  0
 39 40  1  0     0  0
 40 34  1  0     0  0
 41 37  1  0     0  0
 42 38  2  0     0  0
 43 41  2  0     0  0
 44 29  1  0     0  0
  5  2  2  0     0  0
 18 12  2  0     0  0
 42 43  1  0     0  0
M  CHG  2   8   1  14  -1
M  END

$$$$
D0P9MW
  -OEChem-02061504252D

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 89165  1  0  0  0  0
M  END

$$$$
D0P9YP
          01280518052D 1   1.00000     0.00000     0

 37 43  0     0  0            999 V2000
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   11.7625    0.9375    0.0000 C   0  0  3  0  0  0           0  0  0
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   11.0500    0.9458    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7750    1.1917    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.5500    1.1958    0.0000 C   0  0  0  0  0  0           0  0  0
   10.6958    1.5542    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1583    0.8375    0.0000 C   0  0  0  0  0  0           0  0  0
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 10 12  2  0     0  0
 11 31  1  0     0  0
 12  6  1  0     0  0
 13  2  1  0     0  0
 14  2  1  0     0  0
 15  2  1  0     0  0
 16  3  1  0     0  0
 17  8  1  0     0  0
 18 13  1  0     0  0
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 22  5  2  0     0  0
 23  7  2  0     0  0
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 25 10  1  0     0  0
 31 32  2  0     0  0
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 18 28  1  0     0  0
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M  END

$$$$
D0PB0D
          02231100072D 1   1.00000     0.00000     0

 56 62  0     1  0            999 V2000
    1.2980    0.1588    0.0000 C   0  0  1  0  0  0           0  0  0
    0.3686   -0.5154    0.0000 O   0  0  0  0  0  0           0  0  0
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 26 27  1  0     0  0
 14 13  1  0     0  0
 27 28  2  0     0  0
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 55  6  2  0     0  0
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 56 39  1  0     0  0
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 39 40  1  0     0  0
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 40 42  1  0     0  0
 15 18  1  0     0  0
  7  8  2  0     0  0
 18 20  2  0     0  0
  2  3  1  0     0  0
 17 21  2  0     0  0
 40 46  1  0     0  0
 42 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  0     0  0
 45 46  1  0     0  0
  8  9  1  0     0  0
 44 47  1  0     0  0
 47 48  1  0     0  0
 17 22  1  0     0  0
  1 54  1  0     0  0
 22 23  1  0     0  0
  9 10  2  0     0  0
 22 24  1  0     0  0
 47 52  1  0     0  0
 48 49  1  0     0  0
 49 50  1  0     0  0
 50 51  1  0     0  0
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 10 55  1  0     0  0
 19 53  1  6     0  0
 24 25  1  0     0  0
 11 54  1  6     0  0
 54  4  1  0     0  0
  1 55  1  6     0  0
 25 26  2  0     0  0
 16 56  1  1     0  0
 13 12  1  0     0  0
M  END

$$$$
D0PC1V
  -OEChem-04152109002D

 77 81  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D0PF3J
  -OEChem-04152110392D

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M  END

$$$$
D0PH9I
  -OEChem-03141904472D

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M  END

$$$$
D0PK3W
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M  END

$$$$
D0PK7J
  -OEChem-10191521152D

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 47 48  1  0  0  0  0
 47 81  1  0  0  0  0
 48 49  1  0  0  0  0
M  END

$$$$
D0PL3N
  -OEChem-03141904532D

 43 44  0     0  0  0  0  0  0999 V2000
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 23 39  1  0  0  0  0
M  END

$$$$
D0PL7P
  -OEChem-03141904462D

 60 62  0     1  0  0  0  0  0999 V2000
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 28 29  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
M  END

$$$$
D0PM7Q
  -OEChem-10121504072D

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 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D0PM9D
  -OEChem-04152109022D

 45 48  0     1  0  0  0  0  0999 V2000
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 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D0PN8H
  -OEChem-10121501452D

 67 71  0     0  0  0  0  0  0999 V2000
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 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
M  END

$$$$
D0PO0B
  -OEChem-10111523442D

 73 76  0     1  0  0  0  0  0999 V2000
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 35 71  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
M  END

$$$$
D0PQ8T
  -OEChem-10111523412D

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 29 54  1  0  0  0  0
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 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
M  END

$$$$
D0PR6H
  -OEChem-02041521182D

 22 22  0     0  0  0  0  0  0999 V2000
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 16 22  1  0  0  0  0
M  END

$$$$
D0PU8T
  -OEChem-10191523072D

 76 79  0     0  0  0  0  0  0999 V2000
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 37 73  1  0  0  0  0
 38 74  1  0  0  0  0
 38 75  1  0  0  0  0
 38 76  1  0  0  0  0
M  END

$$$$
D0PV4H
          07051100352D 1   1.00000     0.00000     0

 72 76  0     1  0            999 V2000
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M  STY  4   1 SUP   2 SUP   3 SUP   4 SUP
M  SLB  4   1   1   2   2   3   3   4   4
M  SAL   1  5  61  62  63  64  65
M  SBL   1  2  60  65
M  SMT   1 Ala
M  SBV   1  60   -0.2276    0.0000
M  SBV   1  65   -0.1138    0.6000
M  SCL   1 AA
M  SAP   1  2  61  59 Br  64   0 Al
M  SAL   2  5  53  55  56  59  60
M  SBL   2  2  52  60
M  SMT   2 Ala
M  SBV   2  60    0.2276    0.0000
M  SBV   2  52   -0.2276    0.0000
M  SCL   2 AA
M  SAP   2  2  59  61 Al  53  51 Br
M  SAL   3  8  45  47  48  51  52  54  57  58
M  SBL   3  2  44  52
M  SMT   3 Asn
M  SBV   3  52    0.2276    0.0000
M  SBV   3  44   -0.2276    0.0000
M  SCL   3 AA
M  SAP   3  2  51  53 Al  45  43 Br
M  SAL   4  8  38  41  42  43  44  46  49  50
M  SBL   4  2  37  44
M  SMT   4 Leu
M  SBV   4  44    0.2276    0.0000
M  SBV   4  37   -0.3483    0.0000
M  SCL   4 AA
M  SAP   4  2  43  45 Al  38   0 Br
M  END

$$$$
D0PV9N
  -OEChem-03141904522D

 64 64  0     1  0  0  0  0  0999 V2000
   10.0510    4.3180    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
   10.9170    4.8180    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    9.1850    4.8180    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.8316    3.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    5.6222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    3.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    7.0364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8871    4.6704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905    2.5655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8481    6.5881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0564    2.3066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5552    7.2952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3426    1.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    6.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3415    1.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3011    8.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045    0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606    7.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106    0.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971    8.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8657    3.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069    4.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    3.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0211    6.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8871    5.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6192    4.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    6.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6192    5.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    2.7855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    5.9870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774    2.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1562    7.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936    2.3528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781    1.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208    6.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7918    6.2238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7023    0.8006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9194    8.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615    8.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866    0.7813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5488    0.2147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2036    8.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203    0.2096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5620    9.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901    8.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2700    3.9698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216    5.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481    3.7362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117    3.1726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    5.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700    4.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4804    3.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8985    7.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179    2.5537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3723    3.2028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    6.0627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4595    6.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1561    4.3604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    6.7904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1561    5.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 50  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 51  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  6 56  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  7 57  1  0  0  0  0
  8 25  2  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  1  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  6  0  0  0
 11 15  1  0  0  0  0
 11 32  1  6  0  0  0
 12 16  1  0  0  0  0
 12 33  1  1  0  0  0
 13 17  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
 14 37  1  0  0  0  0
 15 19  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  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 19  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  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
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 25  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 26  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 28 63  1  0  0  0  0
 29 64  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D0PW4C
  -OEChem-04152108492D

 53 56  0     1  0  0  0  0  0999 V2000
    3.3426   -0.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    4.2920    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8959    3.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.2920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    3.5477    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.2920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6783   -2.4873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6783   -4.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497   -4.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497   -2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -2.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2908   -2.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -4.6636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -4.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3127   -4.4110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1018   -4.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1018   -1.9166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3127   -2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9296   -4.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4173   -3.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4173   -2.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9296   -2.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0953   -1.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741   -1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8396   -0.7239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1787   -0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0143    0.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8812    1.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928    0.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7109    1.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142    2.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  7  4  1  1  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  8  5  1  6  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 14  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
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  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 20  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
 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
 20 21  2  0  0  0  0
 20 46  1  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
 22 49  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  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 28  2  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
M  CHG  2   2  -1   6   1
M  END

$$$$
D0PW4N
  -OEChem-10101305032D

 70 73  0     1  0  0  0  0  0999 V2000
    8.9942   -0.2258    0.0000 Cl  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
    5.4641   -3.2500    0.0000 O   0  0  0  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   -1.7500    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
    5.4641    3.7500    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
    4.5981   -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   -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    2.2500    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
    3.7320   -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
    6.3301   -0.7500    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
    2.8660    2.2500    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
    7.2241   -0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -2.2847    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    2.7500    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
    4.5981   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0PY5D
  -OEChem-04152110172D

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M  END

$$$$
D0PY5G
  -OEChem-04152109042D

125126  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0Q0AP
  -OEChem-10111523172D

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 18 25  1  0  0  0  0
 19 22  1  0  0  0  0
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 20 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 41  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
 27 29  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
 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
M  END

$$$$
D0Q0EF
  -OEChem-04152111352D

 57 61  0     1  0  0  0  0  0999 V2000
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  1 29  1  0  0  0  0
  2 23  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 44  1  0  0  0  0
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 18 45  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
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
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 23 24  1  0  0  0  0
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 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  END

$$$$
D0Q0FW
  -OEChem-10191522282D

 19 19  0     0  0  0  0  0  0999 V2000
    2.0000    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
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  3 18  1  0  0  0  0
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  6  8  1  0  0  0  0
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  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
M  CHG  1   2   1
M  END

$$$$
D0Q0HZ
          06231000262D 1   1.00000     0.00000     0

 77 78  0     1  0            999 V2000
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   -1.5114   -1.0316    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3117   -0.9152    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3114   -0.6818    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1165   -1.0321    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9363   -2.2283    0.0000 N   0  0  0  0  0  0           0  0  0
    1.9354   -2.4654    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7455   -2.5882    0.0000 N   0  0  0  0  0  0           0  0  0
    2.1395   -2.5755    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3552   -1.3976    0.0000 N   0  0  0  0  0  0           0  0  0
    1.5384   -1.5300    0.0000 C   0  0  2  0  0  0           0  0  0
    1.7307   -1.1684    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7279   -1.4006    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5387   -1.7684    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7342   -1.8848    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7345   -2.1181    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8125   -1.4000    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.8292   -1.3959    0.0000 H   0  0  0  0  0  0           0  0  0
 31 32  1  6     0  0
 31 33  1  0     0  0
 33 34  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 11 10  2  0     0  0
  9 12  1  1     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
 19  1  1  0     0  0
  4 46  1  0     0  0
 45 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 36 38  2  0     0  0
 39 40  1  0     0  0
 40 42  1  0     0  0
 42 41  2  0     0  0
 40 43  1  1     0  0
 43 44  1  0     0  0
 44 45  1  0     0  0
 49 57  1  0     0  0
  1  2  1  0     0  0
  2  4  1  0     0  0
  4  3  2  0     0  0
  2  5  1  1     0  0
  5  6  1  0     0  0
  5  7  1  0     0  0
 47 49  1  6     0  0
 49 48  2  0     0  0
 47 50  1  0     0  0
 51 52  1  0     0  0
 52 50  1  0     0  0
 51 46  1  0     0  0
 46 47  1  0     0  0
 16 17  1  0     0  0
 17 19  1  0     0  0
 19 18  2  0     0  0
 53 54  1  0     0  0
 54 56  1  0     0  0
 56 55  2  0     0  0
 17 20  1  6     0  0
 20 22  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 21  1  0     0  0
 57 58  1  0     0  0
 58 60  1  0     0  0
 60 59  2  0     0  0
 58 61  1  1     0  0
 61 62  1  0     0  0
 62 63  2  0     0  0
 62 64  1  0     0  0
 60 53  1  0     0  0
 56  8  1  0     0  0
 11 69  1  0     0  0
 72 27  1  0     0  0
 30 76  1  0     0  0
 42 16  1  0     0  0
 27 28  1  0     0  0
 28 30  1  1     0  0
 30 29  2  0     0  0
 65 66  1  0     0  0
 66 67  1  0     0  0
 66 68  2  0     0  0
 69 70  1  0     0  0
 70 72  1  0     0  0
 72 71  2  0     0  0
 70 73  1  6     0  0
 73 74  1  0     0  0
 74 75  1  0     0  0
 75 65  1  0     0  0
 28 31  1  0     0  0
 39 77  1  0     0  0
M  STY  8   1 SUP   2 SUP   3 SUP   4 SUP   5 SUP   6 SUP   7 SUP   8 SUP
M  STY  3   9 SUP  10 SUP  11 SUP
M  SLB  8   1   1   2   2   3   3   4   4   5   5   6   6   7   7   8   9
M  SLB  3   9  10  10  11  11  12
M  SAL   1 11  16  17  18  19  20  21  22  23  24  25  26
M  SBL   1  2  11  63
M  SMT   1 Phe
M  SBV   1  63   -0.6500    0.0000
M  SBV   1  11    0.6500    0.0000
M  SCL   1 AA
M  SAP   1  2  16  42 Al  19   1 Br
M  SAL   2  8  27  28  29  30  31  32  33  34
M  SBL   2  2  61  62
M  SMT   2 Ile
M  SBV   2  61   -0.6500    0.0000
M  SBV   2  62    0.0700   -0.0100
M  SCL   2 AA
M  SAP   2  2  27  72 Al  30  76 Br
M  SAL   3  7  46  47  48  49  50  51  52
M  SBL   3  2  12  23
M  SMT   3 Pro
M  SBV   3  12   -0.6400    0.0000
M  SBV   3  23    0.6500    0.0000
M  SCL   3 AA
M  SAP   3  2  46   4 Al  49  57 Br
M  SAL   4  7   1   2   3   4   5   6   7
M  SBL   4  2  11  12
M  SMT   4 Val
M  SBV   4  11   -0.6500    0.0000
M  SBV   4  12    0.6400    0.0000
M  SCL   4 AA
M  SAP   4  2   1  19 Al   4  46 Br
M  SAL   5 11  35  36  37  38  39  40  41  42  43  44  45
M  SBL   5  2  63  78
M  SMT   5 Arg
M  SBV   5  63    0.6500    0.0000
M  SCL   5 AA
M  SAP   5  2  39   0 Al  42  16 Br
M  SAL   6  4  53  54  55  56
M  SBL   6  2  58  59
M  SMT   6 Gly
M  SBV   6  58   -0.6500    0.0000
M  SBV   6  59    0.6500    0.0000
M  SCL   6 AA
M  SAP   6  2  53  60 Al  56   8 Br
M  SAL   7  8   8   9  10  11  12  13  14  15
M  SBL   7  2  59  60
M  SMT   7 Asn
M  SBV   7  59   -0.6500    0.0000
M  SBV   7  60    0.6400    0.0000
M  SCL   7 AA
M  SAP   7  2   8  56 Al  11  69 Br
M  SAL   8 11  65  66  67  68  69  70  71  72  73  74  75
M  SBL   8  2  60  61
M  SMT   8 Arg
M  SBV   8  60   -0.6400    0.0000
M  SBV   8  61    0.6500    0.0000
M  SCL   8 AA
M  SAP   8  2  69  11 Al  72  27 Br
M  SAL   9  8  57  58  59  60  61  62  63  64
M  SBL   9  2  23  58
M  SMT   9 Asp
M  SBV   9  23   -0.6500    0.0000
M  SBV   9  58    0.6500    0.0000
M  SCL   9 AA
M  SAP   9  2  57  49 Al  60  53 Br
M  SAL  10  1  76
M  SBL  10  1  62
M  SMT  10 OH
M  SBV  10  62   -0.0700    0.0100
M  SCL  10 LGRP
M  SAL  11  1  77
M  SBL  11  1  78
M  SMT  11 NH2
M  END

$$$$
D0Q0JI
  -OEChem-04152111152D

 43 46  0     1  0  0  0  0  0999 V2000
    2.8900   -0.3353    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4344    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -2.3244    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    2.3244    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    2.1031    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4002    0.9276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.3118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8739    0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0430   -0.6368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5008   -0.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8520    0.7645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5008   -2.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903   -0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -1.2253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7970    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3794    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    0.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726   -0.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8226   -0.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3739    0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5546   -0.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -1.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768   -2.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5546   -1.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6886   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2092    1.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8226   -1.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6886   -2.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0844   -1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246   -0.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0437    1.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7259   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3370   -1.4133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752   -2.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413   -2.5359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0784   -1.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6886    0.3900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2856   -2.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6886   -2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6935    0.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7044   -1.2300    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 27  1  0  0  0  0
  5 27  1  0  0  0  0
  6 27  1  0  0  0  0
  7 13  1  0  0  0  0
 14  7  1  1  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 21  2  0  0  0  0
  9 28  1  0  0  0  0
 10 22  1  0  0  0  0
 10 31  1  0  0  0  0
 10 42  1  0  0  0  0
 11 28  2  0  0  0  0
 12 25  1  0  0  0  0
 12 31  2  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 33  1  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 26  2  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 30  1  0  0  0  0
 26 39  1  0  0  0  0
 29 30  2  0  0  0  0
 29 40  1  0  0  0  0
 30 41  1  0  0  0  0
 31 43  1  0  0  0  0
M  END

$$$$
D0Q0KX
  -OEChem-04152111122D

 31 32  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
    4.5981    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 F   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
    2.8660   -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
    5.4641    4.0000    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
    6.3301    2.5000    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
    6.3301    4.5000    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
    7.1962    3.0000    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
    7.1962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.3923    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
    4.9272    4.3100    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
    6.3301    1.8800    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
    6.3301    5.1200    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
    7.7331    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  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
 10 14  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 16  2  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  2  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 19  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D0Q0ZY
  -OEChem-04152110512D

 82 87  0     1  0  0  0  0  0999 V2000
    3.7841    4.6272    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    0.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966    1.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1248   -2.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    3.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    5.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841    4.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7841    4.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    0.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821   -0.8728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0081   -1.4075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142   -0.8936    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.8568   -2.9174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -2.4143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -0.8728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2482   -1.3728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2482    0.6272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3821    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0081    0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    1.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 20  1  6  0  0  0
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 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
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 25 29  2  0  0  0  0
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 27 28  1  0  0  0  0
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 30 35  2  0  0  0  0
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 31 36  1  0  0  0  0
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 32 39  1  0  0  0  0
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 33 40  1  0  0  0  0
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 39 44  1  0  0  0  0
 40 42  2  0  0  0  0
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 43 45  1  0  0  0  0
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 45 47  2  0  0  0  0
 45 78  1  0  0  0  0
 46 47  1  0  0  0  0
 46 79  1  0  0  0  0
 47 80  1  0  0  0  0
M  END

$$$$
D0Q1LO
          01210517132D 1   1.00000     0.00000     0

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

$$$$
D0Q1SQ
  -OEChem-03141904492D

 55 56  0     0  0  0  0  0  0999 V2000
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   14.7260   -2.3412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260    1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260   -0.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7260   -0.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4530    2.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2260   -1.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2260   -1.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6183    1.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8086    0.4689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1183    0.8674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1434   -0.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6183    0.0014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6434   -1.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3336   -2.0858    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
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  4  8  1  0  0  0  0
  4 55  1  0  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
 13 34  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 22  1  0  0  0  0
 16 36  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 20  1  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 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 27  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  1  0  0  0  0
 24 48  1  0  0  0  0
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 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 50  1  0  0  0  0
 26 53  1  0  0  0  0
M  END

$$$$
D0Q2GX
  -OEChem-03141904492D

 49 50  0     0  0  0  0  0  0999 V2000
    8.9282    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 N   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
    5.4641    1.5000    0.0000 N   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
   11.5263   -1.0000    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
   11.5263    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
   11.5263   -2.0000    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
   12.3923   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -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
    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
    4.5981    2.0000    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
    2.0000    0.5000    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
   10.1233   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5683   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7723   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0123   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9483   -1.4631    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    1.8100    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
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0420    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.9631    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  8  1  0  0  0  0
  1 10  1  0  0  0  0
  4 19  2  0  0  0  0
  5 23  2  0  0  0  0
  6 25  1  0  0  0  0
  6 28  1  0  0  0  0
  7 26  1  0  0  0  0
  7 29  1  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  9 19  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 35  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 42  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  2  0  0  0  0
 13 24  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 20 34  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 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 41  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 27 43  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 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D0Q3PD
  -OEChem-10101305032D

 76 83  0     1  0  0  0  0  0999 V2000
    4.0778    3.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1258    1.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    1.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    5.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021   -0.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791   -3.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0071    2.5119    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6701   -0.4147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611   -3.0025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701   -3.9536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3598    2.5119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1834    2.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0856    3.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    2.5119    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5361    3.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1834    3.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4383    3.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6629    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5361    1.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6188    1.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3950    2.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2224    4.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9660    2.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0579    3.2052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2380    1.7419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0423   -6.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
 12  2  1  1  0  0  0
  2 56  1  0  0  0  0
  3 24  1  0  0  0  0
  3 63  1  0  0  0  0
  4 29  1  0  0  0  0
  4 65  1  0  0  0  0
  5 31  2  0  0  0  0
  6 10  1  0  0  0  0
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  7 13  1  0  0  0  0
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  7 21  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 64  1  0  0  0  0
  9 35  2  0  0  0  0
  9 36  1  0  0  0  0
 10 36  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 18  1  0  0  0  0
 13 43  1  6  0  0  0
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 14 44  1  0  0  0  0
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 15 24  1  0  0  0  0
 15 46  1  1  0  0  0
 16 20  2  0  0  0  0
 16 23  1  0  0  0  0
 17 25  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
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 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
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 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 55  1  0  0  0  0
 23 29  2  0  0  0  0
 24 25  2  0  0  0  0
 25 31  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 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 30  2  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 30 62  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 66  1  0  0  0  0
 33 67  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
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 72  1  0  0  0  0
 39 41  2  0  0  0  0
 39 73  1  0  0  0  0
 40 42  2  0  0  0  0
 40 74  1  0  0  0  0
 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
M  END

$$$$
D0Q3QS
          04050600092D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
    0.0138    0.2793    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0138   -0.5448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6966    0.6897    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7345    0.6966    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6966   -0.9552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7345   -0.9724    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.4138    0.2793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4517    0.2862    0.0000 O   0  5  0  0  0  0           0  0  0
    0.7379    1.5276    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.4138   -0.5448    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1345   -0.9655    0.0000 N   0  0  0  0  0  0           0  0  0
    2.6655    0.2310    0.0000 Na  0  3  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
  4  8  1  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
  7 10  2  0     0  0
M  CHG  2   8  -1  12   1
M  END

$$$$
D0Q4IX
  -OEChem-04152111282D

 49 52  0     1  0  0  0  0  0999 V2000
    8.9562   -4.7694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2242   -5.7694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601   -1.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  END

$$$$
D0Q4JM
  -OEChem-10111523182D

 72 75  0     0  0  0  0  0  0999 V2000
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 40 41  1  0  0  0  0
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 41 72  1  0  0  0  0
M  END

$$$$
D0Q4OW
  -OEChem-10121501402D

 43 45  0     0  0  0  0  0  0999 V2000
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 23 37  1  0  0  0  0
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 24 39  1  0  0  0  0
M  END

$$$$
D0Q5AT
  -OEChem-10101305022D

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M  CHG  2   1  -1   8   1
M  END

$$$$
D0Q5BU
          08241000062D 1   1.00000     0.00000     0

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

$$$$
D0Q5KZ
  -OEChem-04152111342D

 64 66  0     1  0  0  0  0  0999 V2000
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 32 34  2  0  0  0  0
 33 55  1  0  0  0  0
 34 37  1  0  0  0  0
 36 56  1  0  0  0  0
M  CHG  2   2   1  64  -1
M  END

$$$$
D0Q5LF
  -OEChem-10121500532D

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 50 51  2  0  0  0  0
 50 98  1  0  0  0  0
 51 99  1  0  0  0  0
M  END

$$$$
D0Q5QC
  -OEChem-10101305022D

 65 68  0     1  0  0  0  0  0999 V2000
   12.4685    4.2846    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4723    3.2885    0.0000 F   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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 31 56  1  0  0  0  0
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 34 65  1  0  0  0  0
M  END

$$$$
D0Q5TH
          09300901022D 1   1.00000     0.00000     0

 44 49  0     0  0            999 V2000
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    0.7167   -3.2375    0.0000 N   0  0  0  0  0  0           0  0  0
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    9.2875   -1.0292    0.0000 N   0  0  0  0  0  0           0  0  0
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 13  3  1  0     0  0
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 15  9  1  0     0  0
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 17 11  2  0     0  0
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 20  9  2  0     0  0
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 23  5  2  0     0  0
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 26 43  1  0     0  0
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 28 13  1  0     0  0
 29 16  2  0     0  0
 30 15  2  0     0  0
 31 24  1  0     0  0
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 33 29  1  0     0  0
 34 35  2  0     0  0
 35 20  1  0     0  0
 36 19  1  0     0  0
 37 20  1  0     0  0
 38 19  1  0     0  0
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 40 22  1  0     0  0
 41 26  1  0     0  0
 42 25  1  0     0  0
 43 40  1  0     0  0
 44 41  1  0     0  0
  8 13  2  0     0  0
 34 30  1  0     0  0
 23 32  1  0     0  0
 14 27  1  0     0  0
 10 16  1  0     0  0
 36 33  2  0     0  0
M  END

$$$$
D0Q5VW
  -OEChem-10101305022D

 49 52  0     1  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
M  END

$$$$
D0Q6GD
          04120800172D 1   1.00000     0.00000     0

 34 35  0     1  0            999 V2000
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 16 17  2  0     0  0
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 17 18  1  0     0  0
 18 13  1  0     0  0
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 17 19  1  0     0  0
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 19 20  1  0     0  0
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 19 21  2  0     0  0
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 18 22  2  0     0  0
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 15 23  1  0     0  0
 24 23  1  0     0  0
 25 24  1  0     0  0
 23 25  1  0     0  0
 10 14  2  0     0  0
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 13 11  2  0     0  0
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 26 27  1  0     0  0
 11 12  1  0     0  0
 12 28  1  0     0  0
 12  9  2  0     0  0
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 13 14  1  0     0  0
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 14 15  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
  4  5  1  0     0  0
 15 16  1  0     0  0
 33 34  1  0     0  0
M  END

$$$$
D0Q6IW
  -OEChem-10101305022D

 29 31  0     1  0  0  0  0  0999 V2000
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 17 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

$$$$
D0Q6NN
  -OEChem-04152109422D

 65 66  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0Q6RG
  -OEChem-04152110172D

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135223  1  0  0  0  0
136225  1  0  0  0  0
136226  1  0  0  0  0
136227  1  0  0  0  0
M  CHG  2  17  -1  38   1
M  END

$$$$
D0Q7AG
  -OEChem-04152111232D

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M  END

$$$$
D0Q7JC
  -OEChem-10121500222D

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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
M  END

$$$$
D0Q7NB
  -OEChem-02041521302D

 46 48  0     0  0  0  0  0  0999 V2000
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 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
M  END

$$$$
D0Q7QY
  -OEChem-10101305032D

 38 39  0     0  0  0  0  0  0999 V2000
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    4.5981   -4.1853    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2067    1.3593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 25  1  0  0  0  0
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 15 26  1  0  0  0  0
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 18 28  1  0  0  0  0
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 21 23  1  0  0  0  0
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 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END

$$$$
D0Q7RE
  -OEChem-10191523052D

 72 75  0     1  0  0  0  0  0999 V2000
   20.6484    2.7644    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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 30 32  1  0  0  0  0
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 36 37  2  0  0  0  0
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 38 40  2  0  0  0  0
 38 70  1  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
 40 71  1  0  0  0  0
 41 72  1  0  0  0  0
M  END

$$$$
D0Q7UD
  -OEChem-04152109532D

 38 38  0     1  0  0  0  0  0999 V2000
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    7.7964    4.3724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7475    4.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 25  1  0  0  0  0
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 13 28  1  0  0  0  0
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 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D0Q7UG
          11020500072D 1   1.00000     0.00000     0

 37 38  0     0  0            999 V2000
    0.7542   -2.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7542   -2.1750    0.0000 C   0  0  0  0  0  0           0  0  0
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 10  3  1  0     0  0
 11  5  1  0     0  0
 12 25  1  0     0  0
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 14 11  2  0     0  0
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 16 13  2  0     0  0
 17  9  2  0     0  0
 18 10  2  0     0  0
 19  1  1  0     0  0
 20  4  1  0     0  0
 21 11  1  0     0  0
 22 13  1  0     0  0
 23  5  1  0     0  0
 24  6  1  0     0  0
 25 31  1  0     0  0
 26 28  1  0     0  0
 27 35  1  0     0  0
 28 21  1  0     0  0
 29  9  1  0     0  0
 30 10  1  0     0  0
 31 26  1  0     0  0
 32 20  1  0     0  0
 33 23  1  0     0  0
 34 24  1  0     0  0
 35 32  1  0     0  0
 36 33  1  0     0  0
 37 34  1  0     0  0
 14  7  1  0     0  0
  4  3  1  0     0  0
M  END

$$$$
D0Q8MI
          01220519022D 1   1.00000     0.00000     0

 21 22  0     0  0            999 V2000
    4.0625   -3.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5792   -3.0792    0.0000 C   0  0  0  0  0  0           0  0  0
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  2 12  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  1  1  0     0  0
  6  2  1  0     0  0
  7  2  2  0     0  0
  8  4  1  0     0  0
  9  5  2  0     0  0
 10  9  1  0     0  0
 11  3  1  0     0  0
 12 11  1  0     0  0
 13  3  2  0     0  0
 14 10  1  0     0  0
 15  7  1  0     0  0
 16  9  1  0     0  0
 17  4  1  0     0  0
 18  6  1  0     0  0
 19  6  1  0     0  0
 20 17  1  0     0  0
 21 19  1  0     0  0
 10  8  2  0     0  0
 15 18  1  0     0  0
M  END

$$$$
D0Q8WG
          07281000072D 1   1.00000     0.00000     0

 27 30  0     1  0            999 V2000
   -2.3324    0.4058    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6073   -0.3684    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4272   -0.3629    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6653    0.4365    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.9855    0.9058    0.0000 N   0  0  3  0  0  0           0  0  0
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 14 15  1  0     0  0
 12 16  1  0     0  0
  6  7  1  0     0  0
  1  2  2  0     0  0
  6  8  2  0     0  0
  5  9  1  0     0  0
  2  3  1  0     0  0
  9 10  2  0     0  0
 17 18  1  0     0  0
 17 19  1  0     0  0
 17  1  1  0     0  0
 18 20  1  0     0  0
 19 21  1  0     0  0
 20 21  1  0     0  0
 20  2  1  0     0  0
 17 22  1  6     0  0
 20 23  1  1     0  0
  3  4  2  0     0  0
  7 24  1  0     0  0
 10 11  1  0     0  0
 24 25  1  0     0  0
  4  5  1  0     0  0
 11 12  2  0     0  0
  5  1  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 24 26  1  0     0  0
 14  9  1  0     0  0
 24 27  1  0     0  0
  3  6  1  0     0  0
M  END

$$$$
D0Q8WX
  -OEChem-04152111212D

 34 34  0     1  0  0  0  0  0999 V2000
    3.9994    1.7909    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0872    7.3559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.1200    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.8860    3.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6200    3.3410    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 34  1  0  0  0  0
  3  9  2  0  0  0  0
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  5 11  1  0  0  0  0
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  6 18  1  0  0  0  0
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 10 24  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
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 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D0Q9CY
  -OEChem-10101305032D

 69 72  0     0  0  0  0  0  0999 V2000
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 40 69  1  0  0  0  0
M  END

$$$$
D0Q9IK
  -OEChem-04152111172D

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 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END

$$$$
D0Q9IY
  -OEChem-04152111032D

 63 67  0     0  0  0  0  0  0999 V2000
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 18 45  1  0  0  0  0
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 25 28  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
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 29 31  1  0  0  0  0
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 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

$$$$
D0Q9KR
  -OEChem-03141904502D

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 11  5  1  1  0  0  0
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 25 26  2  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D0Q9RP
  -OEChem-04152111362D

 51 52  0     0  0  0  0  0  0999 V2000
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 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D0Q9UX
  -OEChem-10191523082D

 66 70  0     0  0  0  0  0  0999 V2000
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    3.1196   -2.0903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500    3.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4994   -0.0488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5781    4.4990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2995   -0.0419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3936    1.4790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7102    4.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4422    5.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2577    1.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5524   -3.6463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248   -1.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6318    5.0741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3212    2.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1183    2.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1922    3.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1069    5.4721    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  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  2  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
  5 17  2  0  0  0  0
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  6 28  1  0  0  0  0
  7 19  1  0  0  0  0
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  9 61  1  0  0  0  0
 10 11  1  0  0  0  0
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 16 39  1  0  0  0  0
 18 25  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 50  1  0  0  0  0
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 23 48  1  0  0  0  0
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 28 55  1  0  0  0  0
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 29 32  2  0  0  0  0
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 30 32  1  0  0  0  0
 30 59  1  0  0  0  0
 31 33  2  0  0  0  0
 31 60  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  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
M  END

$$$$
D0QG1B
  -OEChem-03141904492D

 43 45  0     0  0  0  0  0  0999 V2000
    6.0010    3.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.3660    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   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.5000    0.0000 N   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
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    5.1350   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
M  END

$$$$
D0QG2D
  -OEChem-04152110422D

 74 77  0     0  0  0  0  0  0999 V2000
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    8.3913    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    6.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    7.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    7.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    9.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -6.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -9.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  2 58  1  0  0  0  0
  3 28  1  0  0  0  0
  3 31  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5 38  2  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  6 68  1  0  0  0  0
  7 37  2  0  0  0  0
  7 69  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 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  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 17  1  0  0  0  0
 13 47  1  0  0  0  0
 14 18  2  0  0  0  0
 14 48  1  0  0  0  0
 15 20  1  0  0  0  0
 15 49  1  0  0  0  0
 16 21  2  0  0  0  0
 16 50  1  0  0  0  0
 17 19  2  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 20 22  2  0  0  0  0
 20 53  1  0  0  0  0
 21 22  1  0  0  0  0
 21 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  2  0  0  0  0
 25 57  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  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  2  0  0  0  0
 29 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 35  1  0  0  0  0
 32 64  1  0  0  0  0
 33 36  2  0  0  0  0
 33 65  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 39 40  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 40 72  1  0  0  0  0
 40 73  1  0  0  0  0
 40 74  1  0  0  0  0
M  END

$$$$
D0QG8F
  -OEChem-02041521142D

 16 16  0     0  0  0  0  0  0999 V2000
    2.0000    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    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  5  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
    3.7320    1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    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   -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
    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
    2.8660   -0.7500    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
    3.7320   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  4   2  -1   4  -1   6   1   7   1
M  END

$$$$
D0QG9A
  -OEChem-10101305032D

 65 68  0     1  0  0  0  0  0999 V2000
   12.1968    0.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5428   -0.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5465    1.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5008    2.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725   -1.4205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1490    2.8416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725   -3.0300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.7252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7348   -0.1626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7832   -0.4700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7365    0.8374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -0.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7860    1.1481    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -2.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4786    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0561   -2.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8416    3.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5121    4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.4152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.3078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -1.6176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.2497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.2497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -2.7002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -2.7002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2877    0.1179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1706   -0.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6406    1.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1738    1.2461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.2497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.2497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1096   -0.5006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125    1.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6761   -2.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7552    2.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4608    4.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2937    3.5031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.6883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9721    4.1196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9277    4.9953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0520    4.9509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233   -4.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -4.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 23  1  0  0  0  0
 19  2  1  1  0  0  0
  2 52  1  0  0  0  0
 21  3  1  1  0  0  0
  3 53  1  0  0  0  0
  4 24  1  0  0  0  0
  4 34  1  0  0  0  0
  5 24  2  0  0  0  0
  6 25  2  0  0  0  0
 20  7  1  6  0  0  0
  7 26  1  0  0  0  0
  7 28  1  0  0  0  0
  8 25  1  0  0  0  0
  8 33  1  0  0  0  0
  8 55  1  0  0  0  0
  9 28  2  0  0  0  0
  9 29  1  0  0  0  0
 10 26  1  0  0  0  0
 10 30  2  0  0  0  0
 11 30  1  0  0  0  0
 11 32  2  0  0  0  0
 12 32  1  0  0  0  0
 12 64  1  0  0  0  0
 12 65  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 22  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 14 37  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 18  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  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
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 46  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 27  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 25  1  6  0  0  0
 23 49  1  0  0  0  0
 26 29  2  0  0  0  0
 27 31  3  0  0  0  0
 28 54  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 33 35  1  0  0  0  0
 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
M  END

$$$$
D0QH7H
  -OEChem-04152109342D

 60 63  0     1  0  0  0  0  0999 V2000
    4.2213    5.1537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8512   -3.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1331   -4.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0982   -5.1537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -1.3147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1138   -3.7507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.5100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376   -2.2652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3910   -3.5726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8512   -3.0753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3892   -2.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4404   -3.8833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2010   -4.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270    0.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9239   -4.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.9900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0QJ6L
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118120  1  0     0  0
 71 72  1  0     0  0
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121122  1  0     0  0
122123  2  0     0  0
122112  1  0     0  0
114103  1  0     0  0
105 94  1  0     0  0
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 73 75  2  0     0  0
121124  1  0     0  0
124125  1  0     0  0
125126  2  0     0  0
125127  1  0     0  0
127128  1  0     0  0
127129  1  0     0  0
129130  1  0     0  0
128131  1  0     0  0
131132  1  0     0  0
 76 77  1  0     0  0
132133  1  0     0  0
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 80 81  1  0     0  0
136137  1  0     0  0
 81 82  1  0     0  0
 82 83  1  0     0  0
 82 84  2  0     0  0
M  CHG  3   1   3 130  -1 131  -1
M  ISO  1   1  99
M  END

$$$$
D0QK5C
  CDK    9/16/09,10:1

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   11.0182  -17.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3034  -18.0768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0131  -15.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140  -14.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2991  -13.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 18  1  0  0  0  0 
  8  9  2  0  0  0  0 
 17 19  1  0  0  0  0 
  9  5  1  0  0  0  0 
 19 20  1  0  0  0  0 
  4  1  1  0  0  0  0 
 20 21  1  0  0  0  0 
  2 10  1  0  0  0  0 
 20 22  1  0  0  0  0 
  5  6  1  0  0  0  0 
 20 23  1  0  0  0  0 
  7 11  1  0  0  0  0 
 18 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 11 12  1  0  0  0  0 
 25 26  1  0  0  0  0 
  2  3  1  0  0  0  0 
 25 27  1  0  0  0  0 
 12 13  1  0  0  0  0 
 25 28  1  0  0  0  0 
  3  6  2  0  0  0  0 
  4 29  1  0  0  0  0 
 13 14  1  0  0  0  0 
 29 30  1  0  0  0  0 
  1  2  2  0  0  0  0 
 30 31  2  0  0  0  0 
 14 15  1  0  0  0  0 
 31 32  1  0  0  0  0 
  5  4  2  0  0  0  0 
 32 33  2  0  0  0  0 
 15 16  2  0  0  0  0 
 33 34  1  0  0  0  0 
  6  7  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 30  1  0  0  0  0 
 15 17  1  0  0  0  0 
 33 36  1  0  0  0  0 
  7  8  1  0  0  0  0 
 36 37  1  0  0  0  0 
M  END

$$$$
D0QNS3
  -OEChem-06062108522D

 50 51  0     1  0  0  0  0  0999 V2000
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    2.9397   -0.3008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 20  2  0  0  0  0
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 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
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 18 22  2  0  0  0  0
 18 45  1  0  0  0  0
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 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 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END

$$$$
D0QR3X
  -OEChem-03141904502D

 78 78  0     0  0  0  0  0  0999 V2000
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 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
 36 78  1  0  0  0  0
M  END

$$$$
D0QR5G
          01310700452D 1   1.00000     0.00000     0

 16 18  0     0  0            999 V2000
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  2  1  1  0     0  0
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 10  6  2  0     0  0
 11  5  1  0     0  0
 12  3  1  0     0  0
 13 12  2  0     0  0
 14  9  2  0     0  0
 15  4  1  0     0  0
 16 15  1  0     0  0
  5  8  1  0     0  0
  9  7  1  0     0  0
 11 13  1  0     0  0
M  END

$$$$
D0QX8X
  -OEChem-03141904522D

 59 62  0     0  0  0  0  0  0999 V2000
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   11.5263   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 30 32  2  0  0  0  0
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 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
M  END

$$$$
D0QX9K
  -OEChem-03141904472D

 66 69  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0QY1M
  -OEChem-04152111362D

 66 70  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0R0EF
  -OEChem-10111523162D

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M  END

$$$$
D0R0LB
  -OEChem-04152110502D

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M  END

$$$$
D0R0MB
  -OEChem-03141904532D

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 25 27  1  0  0  0  0
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 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  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 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
M  END

$$$$
D0R1QH
          11220700092D 1   1.00000     0.00000     0

 31 32  0     1  0            999 V2000
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    7.1773  -12.1707    0.0000 C   0  0  1  0  0  0           0  0  0
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    6.3000  -14.3750    0.0000 Tc  0  0  0  0  0  0           0  0  0
    6.2958  -15.0833    0.0000 O   0  0  0  0  0  0           0  0  0
 10 11  1  0     0  0
 10  7  1  0     0  0
 10 12  1  0     0  0
 13 14  1  0     0  0
 17 18  1  0     0  0
  9 18  1  1     0  0
  9 14  1  0     0  0
 11 19  1  0     0  0
 11 14  1  0     0  0
 14 20  1  1     0  0
 12  8  1  0     0  0
 10 21  1  6     0  0
 17 22  1  0     0  0
  7 13  1  0     0  0
  8  2  1  1     0  0
  3  4  2  0     0  0
  5 15  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  8  9  1  0     0  0
 24 25  1  0     0  0
  4  5  1  0     0  0
 25 26  1  0     0  0
  2  3  1  0     0  0
 26 27  1  0     0  0
 16 17  1  0     0  0
 16 28  1  0     0  0
  5  6  2  0     0  0
 28 29  1  0     0  0
  6  1  1  0     0  0
  1  2  2  0     0  0
 30 31  2  0     0  0
M  ISO  1  30  99
M  END

$$$$
D0R1VU
  -OEChem-10121501342D

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 25 26  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 71  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 29  1  0  0  0  0
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 28 76  1  0  0  0  0
 29 30  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 30 31  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
 31 81  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END

$$$$
D0R1YL
  -OEChem-10101305022D

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 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END

$$$$
D0R2KO
          12180901392D 1   1.00000     0.00000     0

 69 70  0     1  0            999 V2000
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 33 34  1  0     0  0
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 34 35  1  0     0  0
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 54 55  1  0     0  0
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 27 28  1  0     0  0
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 13 14  1  0     0  0
 60 61  1  0     0  0
 29 30  1  0     0  0
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 30 31  1  0     0  0
  1 64  1  1     0  0
 11 15  1  1     0  0
 13 65  1  1     0  0
 31 32  1  0     0  0
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 32 33  1  0     0  0
 14 68  1  6     0  0
 15 16  1  0     0  0
 12 69  1  6     0  0
M  END

$$$$
D0R2OU
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0R2SK
          01221100092D 1   1.00000     0.00000     0

 23 26  0     1  0            999 V2000
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 17 20  1  0     0  0
  1 22  1  1     0  0
  2 23  1  1     0  0
M  END

$$$$
D0R3MT
  -OEChem-10121500322D

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 15 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
M  END

$$$$
D0R3VK
  -OEChem-04152122312D

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M  END

$$$$
D0R3XI
          06171000282D 1   1.00000     0.00000     0

 40 44  0     0  0            999 V2000
    3.8633   -3.3747    0.0000 C   0  0  3  0  0  0           0  0  0
    4.2216   -2.7622    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.1537   -2.3125    0.0000 O   0  0  0  0  0  0           0  0  0
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 31  1  1  0     0  0
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 15  7  1  0     0  0
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 17 18  1  0     0  0
 38 40  2  0     0  0
M  END

$$$$
D0R4EN
  -OEChem-04152111152D

 41 44  0     0  0  0  0  0  0999 V2000
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 27 41  1  0  0  0  0
M  END

$$$$
D0R4KK
  -OEChem-10191522482D

 45 47  0     1  0  0  0  0  0999 V2000
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 25 43  1  0  0  0  0
 26 28  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
M  END

$$$$
D0R4MT
  -OEChem-03141904502D

 51 50  0     0  0  0  0  0  0999 V2000
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   11.1972   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0R4NR
  -OEChem-10101305022D

 76 79  0     0  0  0  0  0  0999 V2000
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 29 33  1  0  0  0  0
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 31 35  1  0  0  0  0
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 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

$$$$
D0R4YQ
  -OEChem-08301509472D

 52 54  0     0  0  0  0  0  0999 V2000
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 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END

$$$$
D0R5HH
  -OEChem-03141904512D

 56 58  0     0  0  0  0  0  0999 V2000
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 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
M  END

$$$$
D0R6EC
          09290900062D 1   1.00000     0.00000     0

 36 39  0     1  0            999 V2000
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   -1.3350    1.6916    0.0000 C   0  0  0  0  0  0           0  0  0
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 12  9  1  0     0  0
 13  7  1  0     0  0
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 17  8  1  0     0  0
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 19  7  1  0     0  0
  7 20  1  6     0  0
 21 25  1  0     0  0
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 23 11  2  0     0  0
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 26 17  2  0     0  0
 27 22  2  0     0  0
 15 28  1  6     0  0
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 21  9  1  0     0  0
 16 12  1  0     0  0
 10 33  1  0     0  0
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 33  6  1  0     0  0
  2  3  1  0     0  0
  4 35  1  0     0  0
 35 36  1  0     0  0
  3  4  2  0     0  0
M  END

$$$$
D0R6TY
  -OEChem-04152110202D

 46 50  0     1  0  0  0  0  0999 V2000
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 20 44  1  0  0  0  0
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 22 45  1  0  0  0  0
M  END

$$$$
D0R6UV
  -OEChem-10191521152D

 51 54  0     1  0  0  0  0  0999 V2000
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 26 48  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

$$$$
D0R7AK
  -OEChem-04152110432D

 28 30  0     1  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D0R7EA
  -OEChem-10191521152D

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 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D0R7HL
  -OEChem-03141904462D

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 31 33  2  0  0  0  0
 31 55  1  0  0  0  0
 33 34  1  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
M  END

$$$$
D0R7IU
          04081000382D 1   1.00000     0.00000     0

 32 34  0     1  0            999 V2000
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   -0.0069    0.6586    0.0000 N   0  0  0  0  0  0           0  0  0
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  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
  4  8  2  0     0  0
  6  9  2  0     0  0
  7 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
 11 14  1  0     0  0
 12 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 16 18  1  1     0  0
 17 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 20 22  2  0     0  0
 21 23  2  0     0  0
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 23 26  1  0     0  0
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 25 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  2  0     0  0
  5  7  1  0     0  0
  8  9  1  0     0  0
 25 26  2  0     0  0
M  END

$$$$
D0R7LD
  -OEChem-06062108582D

 71 75  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0R7XD
  -OEChem-10191523082D

 50 52  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0R7YY
  -OEChem-10121500122D

 52 54  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0R8GR
  -OEChem-10101305032D

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M  END

$$$$
D0R8HY
  -OEChem-10101305022D

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M  END

$$$$
D0R8IE
  -OEChem-10191523022D

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M  END

$$$$
D0R8IU
  -OEChem-10111523152D

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M  END

$$$$
D0R8PE
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  3 11  1  0     0  0
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  5  3  2  0     0  0
  6  1  1  0     0  0
  7  3  1  0     0  0
  8  2  1  0     0  0
  9  2  1  0     0  0
 10  2  1  0     0  0
 11 13  1  0     0  0
 12  6  1  0     0  0
 13 12  1  0     0  0
M  END

$$$$
D0R9DP
  -OEChem-03141904522D

 85 87  0     1  0  0  0  0  0999 V2000
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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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    3.4025   -3.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15  2  1  6  0  0  0
  2 70  1  0  0  0  0
 23  3  1  1  0  0  0
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 27  4  1  6  0  0  0
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 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 23  1  0  0  0  0
 18 49  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 33  1  0  0  0  0
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 30 73  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
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 33 75  1  0  0  0  0
 34 76  1  0  0  0  0
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 34 78  1  0  0  0  0
 35 36  2  0  0  0  0
 35 79  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 80  1  0  0  0  0
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 37 82  1  0  0  0  0
 38 83  1  0  0  0  0
 38 84  1  0  0  0  0
 38 85  1  0  0  0  0
M  CHG  2   1   1   5  -1
M  END

$$$$
D0R9HI
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  1 20  1  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
  5 34  1  0  0  0  0
  6 12  2  0  0  0  0
  6 19  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 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  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 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  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  2  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 44  1  0  0  0  0
M  END

$$$$
D0R9HL
  -OEChem-10101305022D

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

$$$$
D0R9IU
  -OEChem-10191522582D

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M  END

$$$$
D0R9KG
          04201000072D 1   1.00000     0.00000     0

 32 35  0     0  0            999 V2000
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 31 32  1  0     0  0
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M  END

$$$$
D0R9MN
  -OEChem-04152110142D

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M  END

$$$$
D0R9US
  -OEChem-04152111182D

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M  END

$$$$
D0R9VC
  -OEChem-04152122332D

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 86159  1  0  0  0  0
 87 88  1  0  0  0  0
 87160  1  0  0  0  0
M  END

$$$$
D0R9YR
  -OEChem-10121500162D

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 33 80  1  0  0  0  0
 33 81  1  0  0  0  0
M  END

$$$$
D0RC2V
  -OEChem-02061504252D

630636  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0RE4L
  -OEChem-04152111112D

 54 57  0     0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END

$$$$
D0RE9C
  -OEChem-03141904492D

 36 36  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0RF3F
  -OEChem-02061504062D

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

$$$$
D0RF4J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.580   1.650   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.580   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.866   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.151   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.151   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.866   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.866  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.580  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.580  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.866  -2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.151  -1.650   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.151  -0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.365  -0.570   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.850  -1.238   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.365  -1.905   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.437  -0.412   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.437   0.412   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.278  -0.825   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.992  -0.412   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.706  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.295   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.421  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.135  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.421   0.413   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.850  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   16                                            
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   22                                                 
CONECT   21    1                                                      
CONECT   22   20   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0RL4X
  -OEChem-04152111212D

 62 64  0     0  0  0  0  0  0999 V2000
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    2.0000   -5.7112    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -4.3451    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4935    5.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1211    4.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.7112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    2.7888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    2.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    3.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1691    3.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1362    4.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -0.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -0.1035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3433    4.2143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    3.6812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    2.8258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    1.7519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    3.7888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4422    3.7888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823    1.7519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023    2.8258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5676    4.0298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6941    3.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951   -3.4012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7055    6.0772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 36  1  0  0  0  0
  3 36  1  0  0  0  0
  4 28  1  0  0  0  0
  4 62  1  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  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 14  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 25  1  0  0  0  0
 11 29  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 28  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 20  1  0  0  0  0
 19 26  1  0  0  0  0
 19 41  1  0  0  0  0
 20 27  2  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 46  1  0  0  0  0
 22 47  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
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 34  1  0  0  0  0
 31 58  1  0  0  0  0
 32 35  2  0  0  0  0
 32 59  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 60  1  0  0  0  0
 35 61  1  0  0  0  0
M  END

$$$$
D0RN3S
  -OEChem-04152111282D

 57 61  0     0  0  0  0  0  0999 V2000
   10.1347   -3.3942    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026   -3.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1347    0.6058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -2.3009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9680   -0.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2225    2.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360    3.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3270    3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9437    1.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0007   -1.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1347   -2.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4898   -1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9385   -3.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8046   -3.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6127    2.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4827    2.8464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5820    3.7911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5988    4.5054    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 24  2  0  0  0  0
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  6 53  1  0  0  0  0
  7 28  2  0  0  0  0
  7 30  1  0  0  0  0
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  8 25  2  0  0  0  0
  9 29  2  0  0  0  0
 10 11  1  0  0  0  0
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 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 22  2  0  0  0  0
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 20 22  1  0  0  0  0
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 21 43  1  0  0  0  0
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 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 46  1  0  0  0  0
 25 28  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
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 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
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 28 31  1  0  0  0  0
 29 54  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 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

$$$$
D0RN6V
          01210517112D 1   1.00000     0.00000     0

 27 28  0     1  0            999 V2000
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    5.4667   -2.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4167   -1.5167    0.0000 C   0  0  3  0  0  0           0  0  0
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M  END

$$$$
D0RP2W
  -OEChem-04152110492D

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M  END

$$$$
D0RS4X
  -OEChem-04152111332D

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M  END

$$$$
D0RU7T
  -OEChem-02041521342D

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 21 34  1  0  0  0  0
M  END

$$$$
D0RV6F
          05210900062D 1   1.00000     0.00000     0

 39 44  0     1  0            999 V2000
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 16 17  1  0     0  0
M  END

$$$$
D0RZ9V
  -OEChem-03141904462D

 57 60  0     1  0  0  0  0  0999 V2000
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 33 35  1  0  0  0  0
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M  END

$$$$
D0S0EQ
          06121000062D 1   1.00000     0.00000     0

 27 29  0     0  0            999 V2000
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 21 26  2  0     0  0
 25 27  1  0     0  0
  6  9  2  0     0  0
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 23 26  1  0     0  0
M  END

$$$$
D0S0FZ
  -OEChem-10101305032D

 24 24  0     1  0  0  0  0  0999 V2000
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 13 21  1  0  0  0  0
M  END

$$$$
D0S0HA
  Mrv0541 04051115152D          

 18 20  0  0  0  0            999 V2000
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M  ENDM  END

$$$$
D0S0NX
          09161000072D 1   1.00000     0.00000     0

 29 32  0     1  0            999 V2000
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 10  9  1  0     0  0
 11 10  1  0     0  0
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 13 12  1  0     0  0
 14 13  1  0     0  0
 14  9  1  0     0  0
  5 11  1  0     0  0
 16 15  1  0     0  0
 17 16  2  0     0  0
 18 17  1  0     0  0
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 19 15  1  0     0  0
 19 20  1  0     0  0
  8 16  1  0     0  0
 21 22  1  6     0  0
 24 23  1  0     0  0
 25 24  2  0     0  0
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 27 26  2  0     0  0
 28 27  1  0     0  0
 28 23  2  0     0  0
 26 29  1  0     0  0
 21 23  1  0     0  0
  7 21  1  0     0  0
M  END

$$$$
D0S0OI
  -OEChem-10101305032D

 53 56  0     0  0  0  0  0  0999 V2000
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 20 25  2  0  0  0  0
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 27 48  1  0  0  0  0
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 28 53  1  0  0  0  0
M  END

$$$$
D0S0RS
  SciTegic04021211102D

 29 32  0  0  0  0            999 V2000
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 14 15  2  0
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 27  9  1  0
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M  ENDM  END

$$$$
D0S0SE
          01310512342D 1   1.00000     0.00000     0

 44 46  0     1  0            999 V2000
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   -1.0250   -2.9292    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.1417   -2.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3375   -4.1542    0.0000 H   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
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  5  1  1  0     0  0
  6 11  1  0     0  0
  7  9  1  0     0  0
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  9  4  1  0     0  0
 10  2  1  0     0  0
 11 14  1  0     0  0
 12  6  1  0     0  0
 13  5  2  0     0  0
 14  7  1  0     0  0
 15  8  1  0     0  0
 16 19  2  0     0  0
 17 16  1  0     0  0
 18 26  1  0     0  0
 19 22  1  0     0  0
 20  3  2  0     0  0
 21  6  2  0     0  0
 22 12  1  0     0  0
 11 23  1  1     0  0
 24  8  2  0     0  0
 25  7  2  0     0  0
 22 26  1  6     0  0
 27 17  2  0     0  0
  9 28  1  6     0  0
 29 23  1  0     0  0
 30 36  1  0     0  0
 31 38  1  0     0  0
 32 17  1  0     0  0
 33 30  1  0     0  0
 34 29  2  0     0  0
 35 29  1  0     0  0
 36 35  2  0     0  0
 37 34  1  0     0  0
 38 18  1  0     0  0
 39 13  1  0     0  0
 40 28  1  0     0  0
 41 28  1  0     0  0
 42 32  1  0     0  0
 43 42  1  0     0  0
 18 44  1  1     0  0
 10 13  1  0     0  0
 30 37  2  0     0  0
 31 15  1  0     0  0
M  END

$$$$
D0S0WN
  -OEChem-10101305022D

 71 73  0     1  0  0  0  0  0999 V2000
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    9.7942   -0.5000    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
   15.9244   -0.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0526   -1.5241    0.0000 O   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
   13.2862    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923    1.0208    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
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   10.6603   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6799    2.0137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1233    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 20  1  0  0  0  0
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  3 26  1  0  0  0  0
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  4 60  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
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 12 40  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
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 17 44  1  0  0  0  0
 18 22  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 20 21  1  0  0  0  0
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 20 48  1  0  0  0  0
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 23 55  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 56  1  0  0  0  0
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 26 30  1  0  0  0  0
 27 29  2  0  0  0  0
 28 32  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 31  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  2  0  0  0  0
 30 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 34  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
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
M  END

$$$$
D0S1BN
  -OEChem-08252108082D

 31 30  0     0  0  0  0  0  0999 V2000
    3.7320   -0.6900    0.0000 N   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
    5.4641    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.0560    0.0000 C   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
    6.3301   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3100    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
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3100    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
    4.6350    0.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    1.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6350   -0.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0201   -0.7269    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 12  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  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  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
  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
  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 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
M  END

$$$$
D0S1TI
  -OEChem-04152111122D

 56 59  0     0  0  0  0  0  0999 V2000
    2.0000    1.4759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5301    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7263   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1904   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0723    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9953   -2.8100    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
  2 16  2  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 20  1  0  0  0  0
  4 27  1  0  0  0  0
  5 23  1  0  0  0  0
  5 32  1  0  0  0  0
  6 11  1  0  0  0  0
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  7 13  1  0  0  0  0
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  8 16  1  0  0  0  0
  8 22  1  0  0  0  0
  8 43  1  0  0  0  0
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 10 23  2  0  0  0  0
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 15 17  2  0  0  0  0
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 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
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 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 29  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
 28 30  2  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
 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

$$$$
D0S1XX
  -OEChem-04152111332D

 53 56  0     0  0  0  0  0  0999 V2000
    4.7320   -4.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.0091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    4.5479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6750    3.5969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7320   -2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660    2.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    4.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782    5.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395   -3.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7522   -0.4540    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 21  1  0  0  0  0
  2 29  1  0  0  0  0
  3 24  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 37  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  2  0  0  0  0
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 10 27  2  0  0  0  0
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 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
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  2  0  0  0  0
 22 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  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
 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  ISO  3  51   2  52   2  53   2
M  END

$$$$
D0S2PD
  -OEChem-04152110512D

 41 44  0     0  0  0  0  0  0999 V2000
    9.0369    2.6760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    0.0959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8122   -0.7088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1229    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167    2.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1724    2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8122    0.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1014    2.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    3.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7693    1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -1.9041    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
  2 16  1  0  0  0  0
  2 41  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
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 11 28  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 21  2  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  1  0  0  0  0
 19 33  1  0  0  0  0
 20 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
M  END

$$$$
D0S2UR
  SciTegic11301210262D

 23 26  0  0  0  0            999 V2000
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   -0.4208    0.1333    0.0000 N   0  0
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   -1.4125   -1.5875    0.0000 C   0  0
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   -2.4000    0.1333    0.0000 N   0  0
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   -0.4208   -3.3042    0.0000 O   0  0
   -2.4000   -2.1792    0.0000 C   0  0
    2.6375   -1.7292    0.0000 C   0  0
    1.6542   -3.3167    0.0000 C   0  0
   -3.3958   -0.4500    0.0000 C   0  0
   -1.4125    1.8625    0.0000 C   0  0
    0.5792    1.8625    0.0000 C   0  0
   -3.3958   -1.5875    0.0000 C   0  0
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    2.7792   -3.5917    0.0000 C   0  0
   -1.4125    3.0208    0.0000 C   0  0
    0.5792    3.0208    0.0000 C   0  0
   -0.4208    3.5958    0.0000 C   0  0
  2  3  1  0
  3  1  1  0
  4  6  2  0
  5  1  2  0
  6  5  1  0
  7  1  1  0
  8  4  1  0
  9  3  2  0
 10  2  1  0
 11  5  1  0
 12  6  1  0
 13  7  1  0
 14  7  1  0
 15 18  1  0
 16 10  1  0
 17 10  2  0
 18 12  2  0
 19 13  1  0
 20 14  1  0
 21 16  2  0
 22 17  1  0
 23 22  2  0
 19 20  1  0
  4  2  1  0
  8 15  2  0
 21 23  1  0
M  END

$$$$
D0S3BF
  -OEChem-04152111292D

 45 44  0     1  0  0  0  0  0999 V2000
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    4.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 14  2  0  0  0  0
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 12  8  1  6  0  0  0
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  9 23  1  0  0  0  0
 10 13  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
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 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 32  1  0  0  0  0
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 17 18  1  0  0  0  0
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 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

$$$$
D0S3PO
  -OEChem-10121501432D

 56 58  0     0  0  0  0  0  0999 V2000
   12.3739   -3.7772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.1174   -2.7973    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.7772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3224   -0.2503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 26 46  1  0  0  0  0
 28 31  2  0  0  0  0
 29 31  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
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 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  END

$$$$
D0S3XE
          01280517592D 1   1.00000     0.00000     0

 38 41  0     0  0            999 V2000
    5.4750   -1.5292    0.0000 C   0  0  0  0  0  0           0  0  0
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 10  4  1  0     0  0
 11 10  1  0     0  0
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 13  3  1  0     0  0
 14  4  1  0     0  0
 15  5  1  0     0  0
 16 20  1  0     0  0
 17 14  1  0     0  0
 18  7  1  0     0  0
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 20 11  1  0     0  0
 21  3  2  0     0  0
 22  1  2  0     0  0
 23 15  1  0     0  0
 24 12  2  0     0  0
 25  2  1  0     0  0
  5 26  1  1     0  0
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 28  6  1  0     0  0
 29 13  1  0     0  0
 30 25  1  0     0  0
 31 25  1  0     0  0
 32 29  1  0     0  0
 33 29  1  0     0  0
 11 34  1  1     0  0
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 10 36  1  6     0  0
  7 37  1  6     0  0
  8 38  1  6     0  0
 10 19  1  0     0  0
 11  9  1  0     0  0
  8 16  1  0     0  0
  6 12  1  0     0  0
M  END

$$$$
D0S3YN
          08201100102D 1   1.00000     0.00000     0

 74 76  0     1  0            999 V2000
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    0.1511   -9.4732    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4651   -9.1190    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4651   -8.4107    0.0000 O   0  0  0  0  0  0           0  0  0
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M  END

$$$$
D0S4II
  -OEChem-04152110452D

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M  END

$$$$
D0S4JK
  -OEChem-10191522552D

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 37 56  1  0  0  0  0
M  END

$$$$
D0S4PN
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M  END

$$$$
D0S4SX
  -OEChem-04152108552D

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M  END

$$$$
D0S4XZ
          09291000062D 1   1.00000     0.00000     0

 84 93  0     1  0            999 V2000
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M  END

$$$$
D0S5EF
  -OEChem-10191523022D

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M  END

$$$$
D0S5IR
  -OEChem-03141904522D

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  9 33  1  6  0  0  0
 10 12  1  0  0  0  0
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 10 34  1  1  0  0  0
 11 13  1  0  0  0  0
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 11 36  1  0  0  0  0
 12 17  1  0  0  0  0
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 12 37  1  1  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  1  0  0  0
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 15 18  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
 16 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
 19 23  1  0  0  0  0
 19 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 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 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
 25 58  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
 26 62  1  0  0  0  0
 27 28  2  0  0  0  0
 27 64  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 65  1  0  0  0  0
M  END

$$$$
D0S5LT
  -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  2  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
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    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  1  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

$$$$
D0S5RC
  -OEChem-10191522542D

 49 51  0     0  0  0  0  0  0999 V2000
    3.9598   -0.6568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810    1.1032    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -2.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    3.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028   -5.7446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688   -2.2446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.8258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5778   -0.6568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028   -3.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -4.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9028   -2.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    6.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7688   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    3.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878    2.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2688    0.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4397   -3.4346    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
  1 24  1  0  0  0  0
  2 23  1  0  0  0  0
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  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
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 11 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 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 21  2  0  0  0  0
 17 37  1  0  0  0  0
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 18 40  1  0  0  0  0
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 19 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  2  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D0S6AE
  -OEChem-10111523352D

 75 78  0     1  0  0  0  0  0999 V2000
    6.8909   -0.6913    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.6378   -2.8047    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.4732   -1.3958    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.0555   -2.1002    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.8838   -4.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    1.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3079   -1.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    0.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    2.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4360   -2.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031    0.1178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6324   -2.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    3.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7973   -5.7411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6433   -2.9092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7424   -3.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5294   -5.7411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7147   -2.5387    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118    1.7733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6928   -2.7466    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208    0.8222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2147   -3.4047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208    2.3611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7973   -3.7411    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086    0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2201   -3.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    3.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6634   -5.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5294   -3.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9925   -3.9835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6724   -1.1235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5294   -6.3611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0S6JV
  -OEChem-10111523402D

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 48105  1  0  0  0  0
 49 57  1  0  0  0  0
 49106  1  0  0  0  0
 49107  1  0  0  0  0
 52 58  1  0  0  0  0
 52 59  1  0  0  0  0
 52108  1  0  0  0  0
 53 56  1  0  0  0  0
 53 60  2  0  0  0  0
 55112  1  0  0  0  0
 56 62  2  0  0  0  0
 57 64  2  0  0  0  0
 57 65  1  0  0  0  0
 58114  1  0  0  0  0
 58115  1  0  0  0  0
 58116  1  0  0  0  0
 59117  1  0  0  0  0
 59118  1  0  0  0  0
 59119  1  0  0  0  0
 60 63  1  0  0  0  0
 60120  1  0  0  0  0
 62 66  1  0  0  0  0
 62121  1  0  0  0  0
 63 66  2  0  0  0  0
 63122  1  0  0  0  0
 64 67  1  0  0  0  0
 64123  1  0  0  0  0
 65 68  2  0  0  0  0
 65124  1  0  0  0  0
 66125  1  0  0  0  0
 67 69  2  0  0  0  0
 67126  1  0  0  0  0
 68 69  1  0  0  0  0
 68127  1  0  0  0  0
 69128  1  0  0  0  0
M  END

$$$$
D0S6KA
  SciTegic01311317052D

 27 30  0  0  0  0            999 V2000
   21.8841   -2.2005    0.0000 C   0  0
   21.8829   -3.0336    0.0000 C   0  0
   22.5998   -3.4488    0.0000 O   0  0
   23.3225   -3.0356    0.0000 C   0  0
   23.3237   -2.2026    0.0000 C   0  0
   22.6022   -1.7827    0.0000 C   0  0
   20.4569   -2.2041    0.0000 C   0  0
   21.1702   -1.7932    0.0000 C   0  0
   21.1709   -0.9745    0.0000 O   0  0
   20.4600   -0.5606    0.0000 C   0  0
   19.7468   -0.9716    0.0000 C   0  0
   19.7444   -1.7964    0.0000 C   0  0
   21.1708   -0.1417    0.0000 C   0  0
   19.7417   -0.1458    0.0000 C   0  0
   24.0358   -3.4502    0.0000 O   0  0
   21.1706   -3.4444    0.0000 C   0  0
   20.4526   -3.0330    0.0000 C   0  0
   19.7413   -3.4467    0.0000 O   0  0
   19.7417   -4.2736    0.0000 C   0  0
   20.4596   -4.6850    0.0000 C   0  0
   21.1772   -4.2696    0.0000 C   0  0
   20.4615   -5.5100    0.0000 C   0  0
   19.0280   -4.6874    0.0000 C   0  0
   21.8936   -4.6787    0.0000 O   0  0
   22.6023   -0.9577    0.0000 C   0  0
   23.3168   -0.5452    0.0000 C   0  0
   23.3168    0.2798    0.0000 C   0  0
 11 12  2  0
  2  3  1  0
 10 13  1  0
  3  4  1  0
 10 14  1  0
  4  5  1  0
  4 15  2  0
 16 17  1  0
  5  6  2  0
  7  8  1  0
  7 17  2  0
 16  2  2  0
  1  8  2  0
  1  2  1  0
 16 21  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
  1  6  1  0
 19 23  1  0
  7 12  1  0
 21 24  1  0
  8  9  1  0
  6 25  1  0
  9 10  1  0
 25 26  1  0
 10 11  1  0
 26 27  1  0
M  ENDM  END

$$$$
D0S6KI
  SciTegic01161211252D

 12 13  0  0  0  0            999 V2000
    4.6792   -5.1792    0.0000 C   0  0  2  0  0  0
    4.6792   -4.4875    0.0000 C   0  0  2  0  0  0
    4.0167   -5.4292    0.0000 O   0  0
    5.3417   -4.2292    0.0000 O   0  0
    3.9792   -4.2542    0.0000 C   0  0  2  0  0  0
    5.3875   -5.4000    0.0000 C   0  0  1  0  0  0
    5.7917   -4.8167    0.0000 C   0  0
    3.5667   -4.8417    0.0000 C   0  0
    5.6417   -6.0667    0.0000 O   0  0
    3.7417   -3.5792    0.0000 O   0  0
    4.6792   -5.8250    0.0000 H   0  0
    4.6792   -3.8375    0.0000 H   0  0
  2  1  1  0
  3  1  1  0
  4  2  1  0
  5  2  1  0
  6  1  1  0
  7  6  1  0
  8  3  1  0
  6  9  1  1
  5 10  1  6
  1 11  1  6
  2 12  1  6
  7  4  1  0
  8  5  1  0
M  END

$$$$
D0S6SQ
          08161100242D 1   1.00000     0.00000     0

 27 29  0     0  0            999 V2000
    0.0539   -2.2458    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7684   -1.8333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4829   -2.2458    0.0000 N   0  0  0  0  0  0           0  0  0
    2.1974   -1.8333    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9118   -2.2458    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9097   -3.0719    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6233   -3.4843    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3388   -3.0718    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3362   -2.2425    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6219   -1.8338    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0538   -3.4833    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7677   -3.0699    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4790   -3.4837    0.0000 N   0  0  0  0  0  0           0  0  0
    7.1924   -3.0709    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1918   -2.2451    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4717   -1.8337    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7612   -2.2488    0.0000 C   0  0  0  0  0  0           0  0  0
    7.9052   -1.8307    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6207   -2.2413    0.0000 N   0  0  0  0  0  0           0  0  0
    7.9030   -1.0057    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6629   -1.8333    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.6605   -1.0083    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3699   -0.5960    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0861   -1.0042    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.0885   -1.8292    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3747   -2.2460    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6230   -4.3093    0.0000 F   0  0  0  0  0  0           0  0  0
 12 13  2  0     0  0
  2  3  1  0     0  0
 13 14  1  0     0  0
  6  7  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
  7  8  2  0     0  0
 16 17  2  0     0  0
 17 12  1  0     0  0
  3  4  1  0     0  0
 15 18  1  0     0  0
  8  9  1  0     0  0
 18 19  1  0     0  0
  1  2  1  0     0  0
 18 20  2  0     0  0
 21 22  1  0     0  0
  9 10  2  0     0  0
 10  5  1  0     0  0
  4  5  1  0     0  0
  8 11  1  0     0  0
 21  1  1  0     0  0
 11 12  1  0     0  0
 21 26  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
  5  6  2  0     0  0
  7 27  1  0     0  0
M  END

$$$$
D0S6TK
  -OEChem-10191521162D

 57 60  0     0  0  0  0  0  0999 V2000
    9.1243   -3.7483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.7175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.7175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038    0.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8834    3.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6115    2.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6260   -2.7522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3962   -2.7416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1398    0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2680   -1.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6260   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5321   -2.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5321   -1.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2641   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0077    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8718    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7397    0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7436    1.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1359   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9961   -2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4718    0.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0193    3.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.2175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -0.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    0.1855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0678   -0.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4758    2.0604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6040    0.5637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5319   -2.5637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2354    3.2359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6178    3.8583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7797    0.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0099    1.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3313    4.2840    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
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4 26  1  0  0  0  0
  4 33  1  0  0  0  0
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  6 32  1  0  0  0  0
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  7 18  1  0  0  0  0
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  8 18  1  0  0  0  0
  8 20  2  0  0  0  0
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  9 22  1  0  0  0  0
  9 44  1  0  0  0  0
 10 23  1  0  0  0  0
 10 29  1  0  0  0  0
 10 47  1  0  0  0  0
 11 22  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 40  1  0  0  0  0
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 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 21 43  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 30 31  2  0  0  0  0
 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
M  END

$$$$
D0S7BQ
  -OEChem-04152111232D

 68 71  0     1  0  0  0  0  0999 V2000
    8.7788    1.3512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    0.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5109    0.3512    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.5827    1.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2429    0.3512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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 33 64  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

$$$$
D0S7HM
  -OEChem-10121501472D

 53 56  0     0  0  0  0  0  0999 V2000
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 28 53  1  0  0  0  0
M  END

$$$$
D0S7UQ
  -OEChem-04152111302D

513517  0     1  0  0  0  0  0999 V2000
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253508  1  0  0  0  0
253509  1  0  0  0  0
253510  1  0  0  0  0
M  END

$$$$
D0S8BG
  -OEChem-10101305032D

 44 45  0     1  0  0  0  0  0999 V2000
    4.2690    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -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
    7.7331    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
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    5.1350    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
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 10 32  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
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 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
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 16 20  2  0  0  0  0
 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D0S8CI
  -OEChem-10101305032D

 47 49  0     1  0  0  0  0  0999 V2000
    3.4030   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.2500    0.0000 F   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
    4.2690    0.2500    0.0000 N   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    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
    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    3.2500    0.0000 C   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  3  0  0  0  0  0  0  0  0  0
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    3.4030   -2.2500    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
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    7.4040    3.4400    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
  2 21  1  0  0  0  0
  3 12  1  0  0  0  0
  3 41  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  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
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  7 26  1  0  0  0  0
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  8 33  1  0  0  0  0
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 10 13  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
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 39  1  0  0  0  0
 16 20  2  0  0  0  0
 16 40  1  0  0  0  0
 17 22  1  0  0  0  0
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 18 23  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 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
M  END

$$$$
D0S8LJ
  -OEChem-10101305022D

113117  0     1  0  0  0  0  0999 V2000
    2.0000    9.7164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6482   10.2488    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2234    5.8852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.4476   -3.2951    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.1973   -2.4528    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.9122   -1.2916    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   20.2007   -5.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5504   -4.2898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5466   -6.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5047   -3.4043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6309    7.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3448   -2.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4423   -3.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8900   -1.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4529   -3.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9344   -1.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2457   -2.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1489   -2.1454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0010   -0.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1218   -0.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7026   -2.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5752    5.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0345    1.9824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4642    4.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4764   -7.1341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4764   -8.7436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6642   -6.9388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0S8XP
  -OEChem-10101305022D

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M  END

$$$$
D0S9BH
  -OEChem-04152111182D

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M  END

$$$$
D0S9FU
  -OEChem-10111523152D

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M  END

$$$$
D0S9IE
  -OEChem-04152111272D

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 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D0S9MD
  -OEChem-04152111232D

 76 79  0     0  0  0  0  0  0999 V2000
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 50 76  1  0  0  0  0
M  END

$$$$
D0S9OH
  -OEChem-04152122282D

 54 56  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0SA3J
          11280714522D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
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 13  5  1  0     0  0
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 26 24  1  0     0  0
 27 25  1  0     0  0
  8 14  1  0     0  0
 18 10  2  0     0  0
M  END

$$$$
D0SB1B
  -OEChem-03141904542D

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M  END

$$$$
D0SC2J
  -OEChem-04152109292D

 85 86  0     1  0  0  0  0  0999 V2000
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   10.1741   -2.4154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6350   -1.4671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.1972   -2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972   -1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    0.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7953   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292   -1.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.5189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1938   -0.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 12  1  1  6  0  0  0
  1 26  1  0  0  0  0
 15  2  1  1  0  0  0
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 23  3  1  6  0  0  0
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 27  4  1  6  0  0  0
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 13 45  1  0  0  0  0
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 14 46  1  0  0  0  0
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 16 19  1  0  0  0  0
 16 21  1  1  0  0  0
 16 48  1  0  0  0  0
 17 20  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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 18 53  1  0  0  0  0
 19 22  2  0  0  0  0
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 20 24  2  0  0  0  0
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 21 55  1  0  0  0  0
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 22 28  1  0  0  0  0
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 25 29  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 32  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
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 31 68  1  0  0  0  0
 32 34  2  0  0  0  0
 32 69  1  0  0  0  0
 33 40  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 34 39  1  0  0  0  0
 34 73  1  0  0  0  0
 35 38  1  0  0  0  0
 37 74  1  0  0  0  0
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 37 76  1  0  0  0  0
 38 39  2  0  0  0  0
 38 41  1  0  0  0  0
 39 77  1  0  0  0  0
 40 42  2  0  0  0  0
 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
 42 84  1  0  0  0  0
 42 85  1  0  0  0  0
M  END

$$$$
D0SC6I
  -OEChem-03141904522D

 15 14  0     0  0  0  0  0  0999 V2000
    3.7320    2.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    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
    2.0000   -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
    2.0000   -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   -2.2500    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
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.0600    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
  2 10  1  0  0  0  0
  3 10  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
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D0SD9V
  -OEChem-10111523512D

 39 40  0     0  0  0  0  0  0999 V2000
   11.5263   -3.2500    0.0000 F   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
    7.1962   -1.7500    0.0000 N   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
    3.7320   -1.7500    0.0000 N   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   -1.7500    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   -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   -1.2500    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
    9.7942   -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
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   10.6603   -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
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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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   11.1972   -1.4400    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 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
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  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  6 32  1  0  0  0  0
  7 13  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  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 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 27  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
 21 22  1  0  0  0  0
 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
M  END

$$$$
D0SD9Z
  -OEChem-03141904472D

 56 60  0     0  0  0  0  0  0999 V2000
    8.2156    0.2630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9626    0.7584    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8635   -0.1316    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0726    1.8575    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0635   -1.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6902   -2.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4944   -1.4971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8034   -0.5460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492   -1.4460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5723    1.9856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 28  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 44  1  0  0  0  0
 24 32  1  0  0  0  0
 24 45  1  0  0  0  0
 25 50  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
 27 30  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  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
M  END

$$$$
D0SG7B
  -OEChem-10191523022D

 53 57  0     0  0  0  0  0  0999 V2000
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 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
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 26 50  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 51  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
M  END

$$$$
D0SH2X
  CDK    9/16/09,10:2

 26 28  0  0  0  0  0  0  0  0999 V2000
   22.6613   -0.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6613   -0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3725    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0879   -0.0400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0879   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3725   -1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9460   -1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2348   -0.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9460   -2.1010    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.5194   -1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5194   -2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8040   -2.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6621   -1.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5202   -0.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8048   -1.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8033    0.3722    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  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  1  7  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 10 15  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 17 22  2  0  0  0  0 
 23 24  2  0  0  0  0 
 23 25  1  0  0  0  0 
 20 23  1  0  0  0  0 
 13 16  1  0  0  0  0 
  8 10  1  0  0  0  0 
  4 26  1  0  0  0  0 
M  CHG  1  23   1
M  CHG  1  25  -1
M  END

$$$$
D0SI9L
  -OEChem-03141904452D

 33 34  0     1  0  0  0  0  0999 V2000
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  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  8  2  1  6  0  0  0
  2 25  1  0  0  0  0
  9  3  1  6  0  0  0
  3 26  1  0  0  0  0
  4 12  1  0  0  0  0
  4 30  1  0  0  0  0
  5 18  2  0  0  0  0
 10  6  1  1  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 18  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 11  1  0  0  0  0
  9 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 27  1  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 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 31  1  0  0  0  0
M  CHG  1   6   1
M  END

$$$$
D0SJ8Q
  -OEChem-10121500312D

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M  END

$$$$
D0SL8J
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 17 49  1  1     0  0
 50 15  1  0     0  0
 18 51  1  1     0  0
 52 28  1  0     0  0
 30 53  1  6     0  0
 41 54  1  6     0  0
 55 46  1  0     0  0
 56 47  1  0     0  0
 57 45  1  0     0  0
 58 42  1  0     0  0
 59 53  1  0     0  0
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 36 62  1  6     0  0
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 11 64  1  1     0  0
 11 24  1  0     0  0
 60 50  1  0     0  0
 20 22  1  0     0  0
 12 26  1  0     0  0
 14 19  1  0     0  0
M  END

$$$$
D0SN1T
  -OEChem-04152109202D

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   10.7671    1.7257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 17  2  1  6  0  0  0
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 26 29  2  0  0  0  0
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 27 30  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  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  1  0  0  0  0
 32 33  2  0  0  0  0
 32 57  1  0  0  0  0
 33 35  1  0  0  0  0
 33 58  1  0  0  0  0
 34 35  2  0  0  0  0
 34 59  1  0  0  0  0
M  END

$$$$
D0SN7I
  -OEChem-10191522552D

 46 48  0     0  0  0  0  0  0999 V2000
    8.0622    0.9400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
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 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END

$$$$
D0SO4Z
  -OEChem-10101305022D

 72 71  0     1  0  0  0  0  0999 V2000
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 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
M  END

$$$$
D0SP5V
  -OEChem-10101305032D

 49 53  0     0  0  0  0  0  0999 V2000
    2.0000   -1.6813    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END

$$$$
D0SP6A
  -OEChem-03141904462D

 49 50  0     0  0  0  0  0  0999 V2000
   11.5356   -2.3404    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 25 28  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D0SQ2K
  -OEChem-10101305032D

496537  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0SY7H
  -OEChem-04152110452D

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 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
M  END

$$$$
D0SY9B
  -OEChem-10191522572D

 75 79  0     1  0  0  0  0  0999 V2000
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 43 75  1  0  0  0  0
M  END

$$$$
D0SZ1G
  -OEChem-03141904482D

 64 67  0     1  0  0  0  0  0999 V2000
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 12  3  1  6  0  0  0
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 10  6  1  1  0  0  0
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 36 64  1  0  0  0  0
M  END

$$$$
D0T0KT
  SciTegic01161211242D

 31 32  0  0  0  0            999 V2000
    2.5956   -2.7031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
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    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.0432    3.5994    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 S   0  0
   -5.2024    2.6932    0.0000 O   0  0
   -4.1622    2.0952    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -11.6998    3.7364    0.0000 O   0  0
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   -9.0995    3.7387    0.0000 C   0  0
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   -6.7553    6.5862    0.0000 O   0  0
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   -1.2990   -0.7500    0.0000 C   0  0
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   -2.5955   -2.7031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 21 27  2  0
 27 15  1  0
  8 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  2  0
 31  3  1  0
M  END

$$$$
D0T0NG
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    4.5981    3.7500    0.0000 Cl  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
    4.5981   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.2500    0.0000 N   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
    5.4641   -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
    4.5981   -2.2500    0.0000 C   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
    2.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.2500    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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  1 21  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
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  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  2  0  0  0  0
  8 13  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  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 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  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
M  END

$$$$
D0T0PN
  -OEChem-10101305032D

 50 52  0     1  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    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
   10.6603   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  2  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
    9.7942   -2.5000    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
    9.7942    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
   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
    6.3301   -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
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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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  1 27  1  0  0  0  0
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  3 27  1  0  0  0  0
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 20 24  1  0  0  0  0
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 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D0T0ZW
  -OEChem-10101305022D

 53 57  0     1  0  0  0  0  0999 V2000
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    7.8119   -3.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 15  1  0  0  0  0
  9 28  1  1  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 19  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 22  1  0  0  0  0
 12 33  1  0  0  0  0
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 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 18  2  0  0  0  0
 14 23  1  0  0  0  0
 15 18  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 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 24  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
 20 45  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
 24 26  2  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D0T1FC
          08191101092D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
   -0.1769    0.5731    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0811    0.5731    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5311    1.3565    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0811    2.1397    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1769    2.1397    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2772    1.3565    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.5093    0.2689    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6804   -0.0964    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.4172    1.1695    0.0000 N   0  0  3  0  0  0           0  0  0
   -3.2967   -0.1811    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2772    2.9230    0.0000 C   0  0  3  0  0  0           0  0  0
    0.7272    3.7062    0.0000 F   0  0  0  0  0  0           0  0  0
    1.0605    2.4730    0.0000 F   0  0  0  0  0  0           0  0  0
   -0.5060    3.3771    0.0000 F   0  0  0  0  0  0           0  0  0
   -3.0867    1.7730    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9640    1.5397    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1972    0.6666    0.0000 C   0  0  0  0  0  0           0  0  0
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   -5.7061    1.0693    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.4771    1.9465    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.6040    2.1798    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2772   -0.2101    0.0000 N   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  6  1  2  0     0  0
  8  7  1  0     0  0
  9  7  1  0     0  0
  8  2  1  0     0  0
  9  3  1  0     0  0
  7 10  2  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
 11 14  1  0     0  0
  5 11  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 18 17  2  0     0  0
 19 18  1  0     0  0
 20 19  2  0     0  0
 21 20  1  0     0  0
 21 16  2  0     0  0
  9 15  1  0     0  0
  1 22  1  0     0  0
M  END

$$$$
D0T1GF
  -OEChem-10191522552D

 53 58  0     0  0  0  0  0  0999 V2000
    6.8661    1.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -2.2856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5561    4.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6468    3.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6498   -1.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2458    0.2225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5195    1.3963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -3.4098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -4.6092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6255   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721   -0.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9235   -0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2701    0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518   -2.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -2.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -3.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8175    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7328   -4.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -4.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -2.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911    3.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0668    3.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -4.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7445    3.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1459   -4.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2861    1.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8667    1.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1506    4.4203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5885    5.0302    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 19  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 32  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  7 15  1  0  0  0  0
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  7 41  1  0  0  0  0
  8 14  2  0  0  0  0
  8 22  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  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 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  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 25  2  0  0  0  0
 21 26  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 29  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 31  2  0  0  0  0
 26 48  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  2  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  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
M  END

$$$$
D0T1WY
  -OEChem-10101305032D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0000   -0.8216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -2.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -2.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    0.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    3.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    1.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.0817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7601   -0.5429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9511   -1.1307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2601   -2.0817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8479   -2.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6261    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  1  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  9  3  1  6  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 28  1  0  0  0  0
  5 15  2  0  0  0  0
  6 17  2  0  0  0  0
 10  7  1  1  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  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 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  1  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 16  2  0  0  0  0
 14 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  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
M  END

$$$$
D0T2AE
          03101100072D 1   1.00000     0.00000     0

 12 11  0     1  0            999 V2000
    0.6683   -0.5675    0.0000 C   0  0  2  0  0  0           0  0  0
    0.5526    0.9595    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5152   -1.5569    0.0000 N   0  0  0  0  0  0           0  0  0
    1.9900   -1.3665    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9900    1.5942    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.8406   -0.7579    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3004   -0.6608    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9900   -2.9644    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8220    3.0988    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3228    0.8288    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1959   -1.4934    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8406    0.8886    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  1     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  6 12  2  0     0  0
M  END

$$$$
D0T2ER
  -OEChem-04152122302D

 56 60  0     0  0  0  0  0  0999 V2000
   13.0407    3.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0407    1.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4571    2.2467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    0.9420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5407    2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4067    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4067    2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5407    2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0407    1.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4571    0.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    2.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0T2FP
  -OEChem-04152111272D

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M  END

$$$$
D0T2LR
          11080800062D 1   1.00000     0.00000     0

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M  END

$$$$
D0T2YQ
          02161001072D 1   1.00000     0.00000     0

  8  7  0     0  0            999 V2000
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  8  7  1  0     0  0
M  END

$$$$
D0T3AW
          12040800072D 1   1.00000     0.00000     0

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 19 20  1  0     0  0
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 21 22  1  0     0  0
  3 11  1  0     0  0
 21 23  1  0     0  0
  4  5  1  0     0  0
 22 24  1  0     0  0
 11 12  1  0     0  0
 24 25  1  0     0  0
  5  6  1  0     0  0
 25 26  2  0     0  0
  4 13  1  1     0  0
 26 27  1  0     0  0
 26 28  1  0     0  0
M  END

$$$$
D0T3CH
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 17  6  1  1  0  0  0
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 40 41  1  0  0  0  0
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 44 45  1  0  0  0  0
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 44125  1  0  0  0  0
 45 47  1  0  0  0  0
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 45127  1  0  0  0  0
 46 49  1  0  0  0  0
 46128  1  0  0  0  0
 46129  1  0  0  0  0
 47 48  1  0  0  0  0
 47130  1  0  0  0  0
 47131  1  0  0  0  0
 48 50  1  0  0  0  0
 48132  1  0  0  0  0
 48133  1  0  0  0  0
 49 52  1  0  0  0  0
 49134  1  0  0  0  0
 49135  1  0  0  0  0
 50 51  1  0  0  0  0
 50136  1  0  0  0  0
 50137  1  0  0  0  0
 51 53  1  0  0  0  0
 51138  1  0  0  0  0
 51139  1  0  0  0  0
 52 54  1  0  0  0  0
 52140  1  0  0  0  0
 52141  1  0  0  0  0
 53 55  1  0  0  0  0
 53142  1  0  0  0  0
 53143  1  0  0  0  0
 54 57  1  0  0  0  0
 54146  1  0  0  0  0
 54147  1  0  0  0  0
 55 56  1  0  0  0  0
 55144  1  0  0  0  0
 55145  1  0  0  0  0
 56 58  1  0  0  0  0
 56148  1  0  0  0  0
 56149  1  0  0  0  0
 57 59  1  0  0  0  0
 57150  1  0  0  0  0
 57151  1  0  0  0  0
 58 60  1  0  0  0  0
 58152  1  0  0  0  0
 58153  1  0  0  0  0
 59154  1  0  0  0  0
 59155  1  0  0  0  0
 59156  1  0  0  0  0
 60157  1  0  0  0  0
 60158  1  0  0  0  0
 60159  1  0  0  0  0
M  END

$$$$
D0T3DG
  -OEChem-10101305032D

 38 40  0     1  0  0  0  0  0999 V2000
    3.0000    0.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3779    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4054    0.3542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4054   -1.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9054   -2.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3833    1.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3652    0.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    1.2482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0388   -0.0119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0388   -1.0118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9054   -0.5118    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0878    0.2972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0878   -1.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.5118    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4054   -1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3845    0.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3845   -1.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5508   -1.6309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3400   -1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2185   -1.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0032    1.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9819    1.7090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8923   -1.9885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826   -1.5899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7154   -1.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8817    2.2439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8100   -2.7808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -2.7808    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
 12  3  1  6  0  0  0
 15  4  1  1  0  0  0
  4 18  1  0  0  0  0
  5 16  1  0  0  0  0
  5 34  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  1  0  0  0  0
  7 35  1  0  0  0  0
  8 17  2  0  0  0  0
 13  9  1  6  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 13  1  0  0  0  0
 10 25  1  1  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  1  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 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 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 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
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D0T3DO
          01250506332D 1   1.00000     0.00000     0

 30 32  0     0  0            999 V2000
    4.0125   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7792   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7792   -3.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3917   -4.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0875   -1.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6250   -2.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0125   -3.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3917   -2.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0917   -2.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4667   -1.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7042   -1.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2375   -3.0167    0.0000 N   0  0  0  0  0  0           0  0  0
    5.8542   -2.6667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1625   -2.6667    0.0000 C   0  0  3  0  0  0           0  0  0
    2.1625   -4.0917    0.0000 C   0  0  3  0  0  0           0  0  0
    5.8500   -1.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4750   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6167   -1.9542    0.0000 O   0  0  0  0  0  0           0  0  0
    7.7000   -0.8667    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5500   -3.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5500   -3.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3917   -4.8042    0.0000 Cl  0  0  0  0  0  0           0  0  0
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    4.6250   -4.0917    0.0000 O   0  0  0  0  0  0           0  0  0
    8.3250   -1.9417    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5042   -2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8000   -2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5042   -4.7042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8000   -4.7042    0.0000 C   0  0  0  0  0  0           0  0  0
  2  8  1  0     0  0
  3  2  2  0     0  0
  4  7  2  0     0  0
  5  9  2  0     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  8  1  2  0     0  0
  9 17  1  0     0  0
 10 16  2  0     0  0
 11  5  1  0     0  0
 12  6  1  0     0  0
 13 12  1  0     0  0
 14  2  1  0     0  0
 15  3  1  0     0  0
 16 13  1  0     0  0
 17 13  2  0     0  0
 18  6  2  0     0  0
 19 11  2  0     0  0
 20 14  1  0     0  0
 21 20  1  0     0  0
 22  4  1  0     0  0
 23  9  1  0     0  0
 24 10  1  0     0  0
 25  7  1  0     0  0
 26 11  1  0     0  0
 27 14  1  0     0  0
 28 14  1  0     0  0
 29 15  1  0     0  0
 30 15  1  0     0  0
  4  3  1  0     0  0
 21 15  1  0     0  0
  5 10  1  0     0  0
M  END

$$$$
D0T3FN
  -OEChem-10101305032D

820829  0     1  0  0  0  0  0999 V2000
   16.3933   -2.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -1.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.0485  -13.4006    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.7856   11.1029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.7856   12.1029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -4.3971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -4.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.3215   12.1029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.1474   -5.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8597   -9.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7251   -7.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2820   -7.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0129   -4.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9942  -11.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9291  -11.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -5.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5567  -12.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.4166   -9.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5850    3.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3171    1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8530    1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   41.2453    1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5132    3.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.1209    3.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0491    3.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   38.2497    8.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4053  -23.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0961  -21.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.5177   10.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.7812    1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7190    5.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5495  -20.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9869    5.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0961  -20.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3792   -0.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0T4PA
  -OEChem-03141904482D

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M  END

$$$$
D0T4QA
  -OEChem-03141904472D

 61 64  0     0  0  0  0  0  0999 V2000
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 25 48  1  0  0  0  0
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 27 51  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
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 33 35  2  0  0  0  0
 33 59  1  0  0  0  0
 34 36  1  0  0  0  0
 35 60  1  0  0  0  0
M  END

$$$$
D0T4SG
  -OEChem-10121501442D

 43 45  0     0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D0T4TN
  -OEChem-04152109562D

471474  0     1  0  0  0  0  0999 V2000
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226458  1  0  0  0  0
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232233  2  0  0  0  0
233469  1  0  0  0  0
234471  1  0  0  0  0
M  END

$$$$
D0T5AW
  MDL     03120710452D 1   1.00000     0.00000     0

 13 15  0     0  0            999 V2000
    0.5542    1.4583    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1792    1.1083    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1792    0.3958    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.0583    1.0958    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0583    0.3833    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5625    0.0333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8542    0.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8542    1.3250    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6708    0.0333    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2750    0.7500    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6708    1.4500    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2833    0.3833    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2833    1.0958    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  4  1  0     0  0
  6  5  1  0     0  0
  7  3  1  0     0  0
  8  2  1  0     0  0
  9  5  2  0     0  0
 10  8  1  0     0  0
 11  4  2  0     0  0
 12 13  2  0     0  0
 13 11  1  0     0  0
  3  6  1  0     0  0
  7 10  1  0     0  0
  9 12  1  0     0  0
M  END

$$$$
D0T5DP
  -OEChem-10191522562D

 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
    2.5369    2.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8133   -0.6497    0.0000 N   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
    7.8133    0.9597    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
    6.8671   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 30  1  0  0  0  0
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 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

$$$$
D0T5FU
  -OEChem-04152111272D

 33 33  0     1  0  0  0  0  0999 V2000
    2.0000    3.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
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 10 13  1  0  0  0  0
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 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END

$$$$
D0T5TU
          08260900312D 1   1.00000     0.00000     0

 48 53  0     1  0            999 V2000
   -0.9750   -3.4583    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9750   -4.2833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2630   -4.6917    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2630   -3.0417    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6889   -4.6969    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4490   -3.4583    0.0000 C   0  0  1  0  0  0           0  0  0
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    1.1543   -4.6966    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8711   -4.2894    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1613   -3.0466    0.0000 C   0  0  2  0  0  0           0  0  0
    1.8746   -3.4692    0.0000 C   0  0  2  0  0  0           0  0  0
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 14 22  1  1     0  0
 23 24  1  0     0  0
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 27 23  1  0     0  0
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 29 31  1  0     0  0
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 33 34  1  0     0  0
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 15 16  1  0     0  0
 31 36  1  0     0  0
 16 24  1  0     0  0
 36 37  2  0     0  0
 23 14  1  0     0  0
 36 38  1  0     0  0
  1  4  2  0     0  0
 38 39  2  0     0  0
 10 17  1  6     0  0
 39 40  1  0     0  0
  2  3  1  0     0  0
 40 41  2  0     0  0
 15 18  1  6     0  0
 41 42  1  0     0  0
  6 10  1  0     0  0
 42 43  2  0     0  0
 43 38  1  0     0  0
  6 19  1  1     0  0
 41 44  1  0     0  0
  7  8  1  0     0  0
 44 45  1  0     0  0
 13 20  1  1     0  0
 45 46  1  0     0  0
  8  9  1  0     0  0
 11 21  1  1     0  0
 46 47  1  0     0  0
 46 48  2  0     0  0
M  CHG  2  46   1  47  -1
M  END

$$$$
D0T6BA
  -OEChem-10191523002D

 52 55  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0T6CN
  -OEChem-04152111302D

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123126  1  0  0  0  0
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128260  1  0  0  0  0
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137273  1  0  0  0  0
138276  1  0  0  0  0
138277  1  0  0  0  0
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139279  1  0  0  0  0
140144  1  0  0  0  0
140280  1  0  0  0  0
141146  1  0  0  0  0
142144  2  0  0  0  0
142281  1  0  0  0  0
144282  1  0  0  0  0
146148  2  0  0  0  0
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149151  2  0  0  0  0
149287  1  0  0  0  0
150152  2  0  0  0  0
150292  1  0  0  0  0
151152  1  0  0  0  0
151293  1  0  0  0  0
M  END

$$$$
D0T6IM
  -OEChem-10101305022D

 44 46  0     0  0  0  0  0  0999 V2000
    7.6780    1.3026    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1370   -2.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690   -3.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    4.4716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    2.7491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    1.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    2.9581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0030   -1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0030   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7350   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7350   -1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7812    3.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3690    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2709   -1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7350   -3.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1880    3.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4049   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6056    4.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    3.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4660   -0.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2412    5.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4068    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  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4 26  1  0  0  0  0
  4 44  1  0  0  0  0
  5 26  2  0  0  0  0
  6 12  2  0  0  0  0
  6 15  1  0  0  0  0
  7 16  2  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
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  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  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
 16 20  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 24  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  2  0  0  0  0
 20 35  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  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
 25 43  1  0  0  0  0
M  END

$$$$
D0T6TW
  -OEChem-10101305022D

 32 32  0     1  0  0  0  0  0999 V2000
    4.9641    2.3294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7094    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -0.2094    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    2.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2094    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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  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  5  4  1  1  0  0  0
  4 20  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  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  6  0  0  0
  6 15  1  0  0  0  0
  8 13  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 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
 12 28  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
M  CHG  1   4   1
M  END

$$$$
D0T7BV
  -OEChem-10191521152D

 86 90  0     1  0  0  0  0  0999 V2000
   13.3141   -2.1251    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403   -1.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0704    0.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9364    1.2817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6685    2.2817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5051   -0.7238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9364   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6685   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8025   -3.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6685    1.2817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5345   -2.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6685   -3.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5345   -3.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4005   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5345    2.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9832   -1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1628    1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8058   -1.1933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6029   -1.1933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5335    0.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3383    2.2409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425    2.9327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2841    1.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4734   -1.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3259   -1.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6795    4.2541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8317    4.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.3022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0487    1.4544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8965    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5335    1.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3394   -0.5283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6685   -1.0983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2655   -3.5283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2054    1.5917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6685   -4.3383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5998   -1.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7354    0.0505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 39  1  0  0  0  0
  1 41  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
 21  3  1  1  0  0  0
  3 72  1  0  0  0  0
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 34  5  1  6  0  0  0
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 15  6  1  1  0  0  0
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 24  8  1  1  0  0  0
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 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 20  2  0  0  0  0
 18 53  1  0  0  0  0
 19 21  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  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
 21 56  1  0  0  0  0
 22 59  1  0  0  0  0
 23 25  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 26  1  0  0  0  0
 24 60  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 61  1  0  0  0  0
 26 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
 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 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 74  1  0  0  0  0
 33 36  2  0  0  0  0
 33 75  1  0  0  0  0
 34 37  1  0  0  0  0
 34 76  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 38  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
 38 81  1  0  0  0  0
 40 82  1  0  0  0  0
 40 83  1  0  0  0  0
 40 84  1  0  0  0  0
 41 42  2  0  0  0  0
 41 85  1  0  0  0  0
 42 86  1  0  0  0  0
M  END

$$$$
D0T7GV
  -OEChem-10101305022D

 21 17  0     0  0  0  0  0  0999 V2000
    4.9098    0.0000    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    5.7759    0.5000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.0438    0.5000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.3429    3.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.9835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    4.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3008    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    5.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    4.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    3.2935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.3635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  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  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  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
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  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  CHG  3   1   2   2  -1   3  -1
M  END

$$$$
D0T7YE
  -OEChem-03141904522D

 64 67  0     1  0  0  0  0  0999 V2000
    9.8622   -1.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.6270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6301   -4.9930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6301   -3.2610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4756   -2.6545    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.1645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8621   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    4.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    4.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.1270    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.7282    1.3730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5942    1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5942    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5942    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    3.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1022   -0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1022    1.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -2.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    1.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -3.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -3.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -4.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359   -1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -4.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4718   -1.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    1.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2048    1.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9402   -0.2096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    0.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5942    3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9742    2.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5942    2.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5942    2.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2142    2.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5942    3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093   -0.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4592   -2.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -2.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    4.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -3.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4617    0.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0681   -1.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656    0.4555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 14  1  0  0  0  0
  1 26  1  0  0  0  0
  2 37  1  0  0  0  0
  3 37  1  0  0  0  0
  4 37  1  0  0  0  0
  5 39  1  0  0  0  0
  6 41  1  0  0  0  0
  7 41  1  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
 11 23  1  0  0  0  0
 11 58  1  0  0  0  0
 12 23  2  0  0  0  0
 13 38  1  0  0  0  0
 13 41  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  1  0  0  0
 15 18  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
 16 44  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 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  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 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 24 27  2  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 31  2  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 32  2  0  0  0  0
 29 56  1  0  0  0  0
 30 35  2  0  0  0  0
 30 36  1  0  0  0  0
 31 33  1  0  0  0  0
 31 57  1  0  0  0  0
 32 34  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  2  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
 35 38  1  0  0  0  0
 35 61  1  0  0  0  0
 36 39  2  0  0  0  0
 36 62  1  0  0  0  0
 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
 40 63  1  0  0  0  0
 41 64  1  0  0  0  0
M  END

$$$$
D0T8KA
  -OEChem-10121501562D

 44 47  0     0  0  0  0  0  0999 V2000
    6.9765    3.8591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7608   -1.5585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.7695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3404   -0.7509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8131   -1.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081   -0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0344   -1.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0232    0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0584   -1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7528    0.0509    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
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 17 22  1  0  0  0  0
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 22 24  2  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
 24 44  1  0  0  0  0
M  END

$$$$
D0T8MA
          12010700082D 1   1.00000     0.00000     0

 19 16  0     0  0            999 V2000
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  9 10  1  0     0  0
 10 11  1  0     0  0
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 14 13  1  0     0  0
 15 14  1  0     0  0
 14 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 14 19  1  0     0  0
M  CHG  3   2  -2   7   1  14   1
M  END

$$$$
D0T8QB
  -OEChem-10121500262D

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 50 51  1  0  0  0  0
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 50107  1  0  0  0  0
 51108  1  0  0  0  0
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 54112  1  0  0  0  0
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 56 57  1  0  0  0  0
 56 58  1  1  0  0  0
 56114  1  0  0  0  0
 57116  1  0  0  0  0
M  END

$$$$
D0T9DN
  -OEChem-04152110472D

 18 19  0     1  0  0  0  0  0999 V2000
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  8 17  1  0  0  0  0
M  END

$$$$
D0T9FU
          09230900072D 1   1.00000     0.00000     0

 43 45  0     1  0            999 V2000
    9.0750   -2.3709    0.0000 C   0  0  2  0  0  0           0  0  0
    9.0875   -1.6625    0.0000 C   0  0  2  0  0  0           0  0  0
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 15  3  1  0     0  0
 10  6  1  0     0  0
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 10  8  1  0     0  0
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 11  2  1  0     0  0
 39 40  1  0     0  0
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 39 41  1  0     0  0
 13  1  1  0     0  0
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 42 43  1  0     0  0
M  END

$$$$
D0TA4A
  -OEChem-10191521152D

 58 61  0     1  0  0  0  0  0999 V2000
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 30 56  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 55  1  0  0  0  0
 33 57  1  0  0  0  0
M  END

$$$$
D0TD7J
  -OEChem-03141904532D

 31 31  0     0  0  0  0  0  0999 V2000
    4.5981    0.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040    3.0094    0.0000 O   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 12  2  0  0  0  0
  3 11  2  0  0  0  0
  4 14  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 17  2  0  0  0  0
  7 10  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 12  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  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  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
 16 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
M  END

$$$$
D0TG4S
  -OEChem-04152110502D

 62 66  0     0  0  0  0  0  0999 V2000
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 10 34  2  0  0  0  0
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 27 30  1  0  0  0  0
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 30 33  1  0  0  0  0
 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
 34 61  1  0  0  0  0
M  END

$$$$
D0TG9Q
  -OEChem-04152110442D

 67 70  0     1  0  0  0  0  0999 V2000
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 20  6  1  6  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 67  1  0  0  0  0
M  END

$$$$
D0TH5H
  -OEChem-03141904512D

 15 14  0     0  0  0  0  0  0999 V2000
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  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  8  3  0  0  0  0
  5  6  1  0  0  0  0
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  7 13  1  0  0  0  0
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  7 15  1  0  0  0  0
M  END

$$$$
D0TJ3M
          04250700072D 1   1.00000     0.00000     0

 24 24  0     0  0            999 V2000
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   -1.1276   -5.7065    0.0000 C   0  0  0  0  0  0           0  0  0
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 10 12  1  0     0  0
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 11 13  1  0     0  0
  1  2  2  0     0  0
 12 14  1  0     0  0
  3  7  1  0     0  0
 14 15  1  0     0  0
  3  4  2  0     0  0
 13 16  1  0     0  0
  7  8  2  0     0  0
 16 17  1  0     0  0
 15 18  1  0     0  0
  4  9  1  0     0  0
 18 19  1  0     0  0
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 17 20  1  0     0  0
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 18 21  2  0     0  0
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 18 22  2  0     0  0
 10 11  1  0     0  0
 17 23  2  0     0  0
  5  6  2  0     0  0
 17 24  2  0     0  0
M  END

$$$$
D0TJ9S
          11010600062D 1   1.00000     0.00000     0

 20 22  0     1  0            999 V2000
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  2  1  1  0     0  0
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 10  9  1  0     0  0
 11 12  1  0     0  0
 12  1  1  0     0  0
 13  4  2  0     0  0
 14 10  2  0     0  0
  1 15  1  6     0  0
 12 16  1  1     0  0
 17  9  1  0     0  0
 18 15  1  0     0  0
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  6 20  1  1     0  0
  2  7  1  0     0  0
  6 11  1  0     0  0
  5 10  1  0     0  0
M  END

$$$$
D0TL7L
  -OEChem-10101305022D

140143  0     1  0  0  0  0  0999 V2000
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 78138  1  0  0  0  0
M  END

$$$$
D0TN3Q
  -OEChem-03141904472D

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M  END

$$$$
D0TN6K
  -OEChem-03141904472D

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 29 45  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 48  1  0  0  0  0
 32 33  1  0  0  0  0
 32 49  1  0  0  0  0
M  END

$$$$
D0TO2R
  -OEChem-03141904452D

 37 39  0     1  0  0  0  0  0999 V2000
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 15  4  1  6  0  0  0
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 16  5  1  1  0  0  0
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 17 10  1  6  0  0  0
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 20 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
M  END

$$$$
D0TP5H
  -OEChem-03141904532D

 32 33  0     1  0  0  0  0  0999 V2000
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 16 32  1  0  0  0  0
M  END

$$$$
D0TS8E
  -OEChem-04152111182D

 49 51  0     0  0  0  0  0  0999 V2000
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  1 14  1  0  0  0  0
  2 16  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
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  7  9  1  0  0  0  0
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  8 30  1  0  0  0  0
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 10 12  2  0  0  0  0
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 17 37  1  0  0  0  0
 18 21  1  0  0  0  0
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 19 22  2  0  0  0  0
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 21 23  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 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 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END

$$$$
D0TT4H
  -OEChem-04152122302D

 59 62  0     0  0  0  0  0  0999 V2000
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    6.3301   -0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    3.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3022    2.2033    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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 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 19 22  2  0  0  0  0
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 20 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
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 25 26  2  0  0  0  0
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 26 30  1  0  0  0  0
 26 44  1  0  0  0  0
 27 31  2  0  0  0  0
 27 45  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 34  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 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
 35 57  1  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
M  END

$$$$
D0TT5K
  -OEChem-02041520402D

 27 28  0     0  0  0  0  0  0999 V2000
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    3.1448    2.8572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628    1.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0570    0.5093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0784    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
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  1  7  1  0  0  0  0
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 10 17  1  0  0  0  0
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 13 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D0TU7B
  -OEChem-10191521162D

 49 52  0     0  0  0  0  0  0999 V2000
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 27 47  1  0  0  0  0
M  END

$$$$
D0TW2J
  -OEChem-04152111272D

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M  END

$$$$
D0TX5P
  -OEChem-02061504192D

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M  END

$$$$
D0U0AY
          01220513502D 1   1.00000     0.00000     0

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M  END

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D0U0BU
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 28 29  2  0  0  0  0
 28 60  1  0  0  0  0
 29 61  1  0  0  0  0
M  END

$$$$
D0U0GZ
  -OEChem-10101305032D

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 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
M  END

$$$$
D0U0KR
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
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 13  4  1  1  0  0  0
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 15  5  1  1  0  0  0
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 14  7  1  6  0  0  0
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 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D0U1HN
  -OEChem-02061504112D

 63 65  0     0  0  0  0  0  0999 V2000
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  1 25  1  0  0  0  0
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 18 22  2  0  0  0  0
 18 43  1  0  0  0  0
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 20 23  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  2  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
 26 49  1  0  0  0  0
 27 30  1  0  0  0  0
 27 51  1  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
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 31 34  1  0  0  0  0
 31 55  1  0  0  0  0
 32 35  2  0  0  0  0
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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
 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
 36 62  1  0  0  0  0
M  END

$$$$
D0U1NA
          01210517082D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
    1.2750   -1.8792    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.1292   -2.7417    0.0000 N   0  0  0  0  0  0           0  0  0
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    2.7792   -3.8375    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.3750   -1.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9500   -0.9417    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.0500   -1.8792    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0500   -1.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8750   -3.6667    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.5625   -2.2292    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1667   -3.6667    0.0000 H   0  0  0  0  0  0           0  0  0
  2  9  1  0     0  0
  3  1  1  0     0  0
  4  5  1  0     0  0
  5  8  1  0     0  0
  6  4  1  0     0  0
  7  1  1  0     0  0
  8  3  1  0     0  0
  9  5  2  0     0  0
 10  1  2  0     0  0
 11  3  1  0     0  0
 12  7  1  0     0  0
 13  7  2  0     0  0
 14 10  1  0     0  0
 15 14  2  0     0  0
 17 14  1  0     0  0
 18 16  1  0     0  0
 12 11  1  0     0  0
 15 13  1  0     0  0
  6  2  2  0     0  0
M  END

$$$$
D0U1OO
  -OEChem-03141904462D

 42 44  0     1  0  0  0  0  0999 V2000
    8.7903   -1.7195    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2362    0.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712   -0.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8154    0.3049    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.7903    0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3815   -0.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919    1.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5721   -0.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5721   -1.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2031    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4661    0.4386    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 11  1  0  0  0  0
  2 15  1  0  0  0  0
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  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 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 12  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  2  0  0  0  0
  9 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
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  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 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  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 22  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
M  END

$$$$
D0U1US
          07131001122D 1   1.00000     0.00000     0

 31 33  0     0  0            999 V2000
   -1.1345    0.2517    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1345   -0.5690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4207    0.6655    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.8483    0.6690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4172   -0.9793    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8448   -0.9828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2931    0.2517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4207    1.4897    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5621    0.2552    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4172   -1.8034    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5655   -0.5690    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.1547   -2.2223    0.0000 F  -1  0  0  0  0  0           0  0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
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  8 13  1  0     0  0
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 10 16  2  0     0  0
 10 17  1  0     0  0
 12 18  1  0     0  0
 12 19  2  0     0  0
 16 20  1  0     0  0
 17 21  2  0     0  0
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 18 23  1  0     0  0
 19 24  1  0     0  0
 20 25  2  0     0  0
 22 26  1  0     0  0
 23 27  1  0     0  0
 24 28  1  0     0  0
 28 29  1  0     0  0
  9 11  2  0     0  0
 21 25  1  0     0  0
 24 26  2  0     0  0
 27 30  1  0     0  0
  1  2  1  0     0  0
 30 31  1  0     0  0
M  ISO  1  31  18
M  END

$$$$
D0U1VZ
          08241100582D 1   1.00000     0.00000     0

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

$$$$
D0U2BH
  -OEChem-10191522592D

 51 54  0     1  0  0  0  0  0999 V2000
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 12  2  1  1  0  0  0
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 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END

$$$$
D0U2CE
  -OEChem-04152111292D

107113  0     1  0  0  0  0  0999 V2000
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 56 57  2  0  0  0  0
 56106  1  0  0  0  0
 57107  1  0  0  0  0
M  END

$$$$
D0U2DH
  -OEChem-10101305032D

 54 57  0     1  0  0  0  0  0999 V2000
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 27 29  1  0  0  0  0
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 29 49  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END

$$$$
D0U2KX
  -OEChem-04152110502D

 48 51  0     1  0  0  0  0  0999 V2000
    2.5357   -2.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20  1  1  1  0  0  0
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 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END

$$$$
D0U3DP
  -OEChem-10121501562D

 48 51  0     0  0  0  0  0  0999 V2000
    2.0000   -3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.6003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -3.1602    0.0000 C   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
    3.7320   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9050    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
    4.5981   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   -3.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192   -3.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.4050    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
    4.5981    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9803   -3.0324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4377   -3.9732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1722   -3.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6934   -2.7598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4577   -3.4905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5051   -4.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3806   -4.3186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4800   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  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 11  2  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  2  0  0  0  0
  6 15  2  0  0  0  0
  6 19  1  0  0  0  0
  7 24  2  0  0  0  0
  7 26  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  2  0  0  0  0
  9 26  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  2  0  0  0  0
 16 22  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  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
 20 36  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
 21 40  1  0  0  0  0
 21 41  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
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D0U3EP
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    5.4641   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9050    0.0000 O   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
    4.5981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    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
    2.8660   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0950    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
    2.8660   -3.0950    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
    3.7320    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5950    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
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 27  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 17  1  0  0  0  0
  3 29  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  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
M  END

$$$$
D0U3KP
  -OEChem-04152108482D

 41 43  0     1  0  0  0  0  0999 V2000
    2.0000    1.6618    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3865    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.1377    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7263   -0.3623    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5923    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233    0.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1893   -0.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8044   -0.4449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2029    0.2453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2029    1.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8044    1.7203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1248    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3278    2.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233    1.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957   -0.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3928   -0.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636   -0.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607   -0.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    1.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 36  1  0  0  0  0
  4 15  2  0  0  0  0
  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 33  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 19  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  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 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 13  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 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  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
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  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 24  2  0  0  0  0
M  END

$$$$
D0U3LK
          06241000152D 1   1.00000     0.00000     0

 14 12  0     0  0            999 V2000
   -4.1538   -0.8283    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3761   -0.3820    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.9251   -0.3855    0.0000 N   0  0  3  0  0  0           0  0  0
   -4.1538   -1.7324    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.5845   -0.8215    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7064   -0.8283    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9251    0.5206    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5845   -1.7359    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.8166   -0.3820    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.0670   -0.5933    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8473   -1.0286    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7121   -1.0286    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0670    0.3058    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8473   -1.9424    0.0000 N   0  0  0  0  0  0           0  0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  0     0  0
  5  8  1  0     0  0
  5  9  2  0     0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
 10 11  1  0     0  0
 10 12  1  0     0  0
 10 13  2  0     0  0
 11 14  1  0     0  0
M  END

$$$$
D0U3RV
  -OEChem-02041520492D

147147  0     0  0  0  0  0  0999 V2000
    9.7340    4.6218    0.0000 Lu  0  1  0  0  0  0  0  0  0  0  0  0
   15.5108    4.8711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631    4.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0369   10.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0551   10.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369   11.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5551   11.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   13.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5551   13.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0369   14.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0550   14.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9680    5.2646    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   10.0813    6.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 71143  1  0  0  0  0
 71144  1  0  0  0  0
 71145  1  0  0  0  0
M  CHG  4   1   3  12  -1  13  -1  17  -1
M  END

$$$$
D0U3XL
          05310800062D 1   1.00000     0.00000     0

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 10  5  1  0     0  0
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  2 28  1  0     0  0
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 28 29  1  0     0  0
M  END

$$$$
D0U4EU
  -OEChem-04152109482D

 72 74  0     1  0  0  0  0  0999 V2000
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 38 71  1  0  0  0  0
M  END

$$$$
D0U4FF
  -OEChem-10121501432D

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 12 22  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 16  1  1  0  0  0
 13 40  1  0  0  0  0
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 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 24  2  0  0  0  0
 21 23  2  0  0  0  0
 21 29  1  0  0  0  0
 23 27  1  0  0  0  0
 23 32  1  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 31  1  0  0  0  0
 26 33  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 54  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
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 35  2  0  0  0  0
 33 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 38  2  0  0  0  0
 36 64  1  0  0  0  0
 37 39  2  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

$$$$
D0U4JX
          01090900082D 1   1.00000     0.00000     0

 46 50  0     1  0            999 V2000
    0.0724   -1.4379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7345   -0.9483    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5931   -0.9552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3310   -2.2207    0.0000 C   0  0  2  0  0  0           0  0  0
    1.4034   -1.4345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9862   -0.1690    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.3448   -1.2931    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.6862   -0.1483    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1483   -2.2172    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1517   -2.8966    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0586   -0.9448    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.8379    3.4966    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6414    3.5655    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3655    4.1724    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9552   -0.7862    0.0000 Pd  0  2  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  1  0     0  0
  4 10  1  6     0  0
  5 11  2  0     0  0
  6 12  1  0     0  0
  7 13  1  0     0  0
  7 14  1  1     0  0
  8 15  1  0     0  0
  9 16  2  0     0  0
 10 17  1  0     0  0
 10 18  2  0     0  0
 11 19  1  0     0  0
 12 20  2  0     0  0
 13 21  1  6     0  0
 14 22  1  0     0  0
 15 23  2  0     0  0
 17 24  1  0     0  0
 20 25  1  0     0  0
 22 26  1  0     0  0
 23 27  1  0     0  0
 25 28  1  0     0  0
 25 29  2  0     0  0
 26 30  1  0     0  0
 26 31  2  0     0  0
 27 32  1  0     0  0
 27 33  2  0     0  0
 28 34  1  0     0  0
 28 35  1  1     0  0
 29 36  1  0     0  0
 32 37  1  0     0  0
 33 38  1  0     0  0
 33 39  1  0     0  0
 34 40  1  6     0  0
 35 41  1  0     0  0
 36 42  2  0     0  0
 38 43  1  0     0  0
 43 44  1  0     0  0
 43 45  2  0     0  0
  5  9  1  0     0  0
 11 12  1  0     0  0
 13 15  1  0     0  0
 34 36  1  0     0  0
 37 38  2  0     0  0
 37 42  1  0     0  0
M  CHG  1  46   2
M  END

$$$$
D0U5BF
  -OEChem-10191523002D

 23 23  0     1  0  0  0  0  0999 V2000
    4.9521    1.6311    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8475    1.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5691   -0.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431    0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554    0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -1.2797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0957    0.9711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614    0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7898   -1.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8090   -1.6311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.0294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.6149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672    0.7118    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
  2 23  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  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 11  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
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$
D0U5JP
  -OEChem-04152110092D

 40 42  0     1  0  0  0  0  0999 V2000
    3.4203    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    7.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7293    8.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1968    6.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 40  1  0  0  0  0
  2 14  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  8  4  1  6  0  0  0
  4 14  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6 17  1  0  0  0  0
  6 35  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 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  9 12  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 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 32  1  0  0  0  0
 13 33  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
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  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  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D0U5OU
          09301001012D 1   1.00000     0.00000     0

 25 26  0     1  0            999 V2000
    9.0125   -2.4667    0.0000 N   0  3  0  0  0  0           0  0  0
    3.4917   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7167   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8750   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1042   -2.4667    0.0000 C   0  0  1  0  0  0           0  0  0
    2.2542   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2542   -3.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6250   -2.8292    0.0000 O   0  5  0  0  0  0           0  0  0
    9.0125   -1.7667    0.0000 O   0  0  0  0  0  0           0  0  0
    3.4917   -3.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7167   -3.5292    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6417   -3.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8750   -3.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4000   -2.8292    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6417   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0292   -3.5292    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.4167   -3.8875    0.0000 O   0  0  0  0  0  0           0  0  0
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    5.9417   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1958   -3.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1667   -2.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5542   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
  2  5  1  0     0  0
  3 17  1  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  7 13  1  0     0  0
  8  1  1  0     0  0
  9  1  2  0     0  0
 10  2  1  0     0  0
 11  3  2  0     0  0
 12  7  1  0     0  0
 13 10  2  0     0  0
 14  1  1  0     0  0
 15  6  1  0     0  0
 16 12  2  0     0  0
 17 22  1  0     0  0
 18 15  2  0     0  0
 19 16  1  0     0  0
  5 20  1  6     0  0
 21 14  1  0     0  0
 22 25  1  0     0  0
 23 19  1  0     0  0
 24 21  1  0     0  0
 25 24  1  0     0  0
  7  6  2  0     0  0
 16 18  1  0     0  0
M  CHG  2   1   1   8  -1
M  END

$$$$
D0U5PT
  -OEChem-04152111302D

 51 55  0     1  0  0  0  0  0999 V2000
    2.9176   -3.5948    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 32 34  1  0  0  0  0
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 34 47  1  0  0  0  0
M  END

$$$$
D0U5UC
  -OEChem-04152111132D

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 33 34  1  0  0  0  0
 33 57  1  0  0  0  0
 34 58  1  0  0  0  0
M  END

$$$$
D0U5YM
  -OEChem-04152111222D

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 44 81  1  0  0  0  0
M  END

$$$$
D0U6FT
          09030800062D 1   1.00000     0.00000     0

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 10  9  1  1     0  0
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M  END

$$$$
D0U6ML
  -OEChem-04152109342D

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M  END

$$$$
D0U6QC
  -OEChem-10101305022D

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M  END

$$$$
D0U6QN
  -OEChem-04152111282D

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M  END

$$$$
D0U6WQ
  -OEChem-10121500502D

 67 71  0     1  0  0  0  0  0999 V2000
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 38 67  1  0  0  0  0
M  END

$$$$
D0U7HL
  -OEChem-10101305032D

 49 51  0     1  0  0  0  0  0999 V2000
   13.8728   -2.1306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D0U7IL
  -OEChem-10191523082D

 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
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M  END

$$$$
D0U7OS
  -OEChem-04152111082D

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M  END

$$$$
D0U7WF
  -OEChem-10191521292D

 63 63  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0U8AS
  -OEChem-04152109362D

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M  END

$$$$
D0U8OD
  -OEChem-10101305022D

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 25 38  1  0  0  0  0
M  END

$$$$
D0U8QH
  -OEChem-10101305032D

 65 69  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0U8XE
  -OEChem-06062108542D

 72 78  0     1  0  0  0  0  0999 V2000
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 25 28  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 29  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 29 30  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  1  0  0  0  0
 30 35  2  0  0  0  0
 32 33  1  0  0  0  0
 32 66  1  0  0  0  0
 34 37  1  0  0  0  0
 34 67  1  0  0  0  0
 35 38  1  0  0  0  0
 35 68  1  0  0  0  0
 37 38  2  0  0  0  0
 37 69  1  0  0  0  0
 38 70  1  0  0  0  0
M  END

$$$$
D0U8XW
          01240508222D 1   1.00000     0.00000     0

 27 27  0     0  0            999 V2000
    3.1667   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9292   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9292   -3.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5542   -2.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1667   -3.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5542   -3.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7917   -2.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4125   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0375   -2.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5542   -1.4000    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5542   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
    5.0375   -1.4000    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3125   -3.5500    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3125   -2.1167    0.0000 O   0  0  0  0  0  0           0  0  0
    5.6417   -2.4792    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7917   -3.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4125   -3.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6917   -3.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6917   -2.4792    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0167   -3.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6667   -3.6167    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0667   -3.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8417   -3.2292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4542   -3.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6292   -3.2125    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2292   -3.5667    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2875   -3.2792    0.0000 C   0  0  0  0  0  0           0  0  0
  2  4  1  0     0  0
  3  6  1  0     0  0
  4  1  1  0     0  0
  5  1  2  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  7  2  0     0  0
  9  8  1  0     0  0
 10  4  2  0     0  0
 11  6  2  0     0  0
 12  9  2  0     0  0
 13  3  1  0     0  0
 14  2  1  0     0  0
 15  9  1  0     0  0
 16  5  1  0     0  0
 17  8  1  0     0  0
 18 13  1  0     0  0
 19 14  1  0     0  0
 20 17  1  0     0  0
 21 22  1  0     0  0
 22 24  1  0     0  0
 23 26  1  0     0  0
 24 23  1  0     0  0
 25 20  1  0     0  0
 26 25  1  0     0  0
 27 21  1  0     0  0
  2  3  2  0     0  0
M  END

$$$$
D0U9LT
  -OEChem-04152110072D

 37 39  0     1  0  0  0  0  0999 V2000
    2.5369   -1.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -3.9177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.3870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    3.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    4.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590    4.4240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -1.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -4.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -3.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    4.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9230    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 17  1  0  0  0  0
  2 27  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  3 32  1  0  0  0  0
  6  4  1  6  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5 11  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  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 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  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
 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 25  1  0  0  0  0
 15 26  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
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D0U9WS
  -OEChem-04152111242D

 47 50  0     0  0  0  0  0  0999 V2000
    5.0198    0.4700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9798    3.9339    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5443   -3.0679    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0888    2.2020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5989    3.0853    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7353   -0.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3533   -0.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0443   -3.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443   -3.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5789    1.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0198    0.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9999    2.1788    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5443   -1.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4103   -1.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6783   -1.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4103   -2.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6783   -2.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0443    0.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443    0.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5096    1.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5790    1.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0235    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0651    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9997    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9998    2.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0889    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0209   -1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0209   -2.4602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0677   -2.4602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4662   -3.1505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3772    2.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5798    2.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8850    2.8228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4689    2.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2061    0.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737    3.5839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 28  1  0  0  0  0
  5 28  1  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
 10 22  1  0  0  0  0
 10 28  1  0  0  0  0
 11 25  2  0  0  0  0
 12 13  1  0  0  0  0
 13 31  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  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 18  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
 18 39  1  0  0  0  0
 18 40  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 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
M  CHG  2  12  -1  13   1
M  END

$$$$
D0UA9J
  -OEChem-04152111302D

 50 53  0     1  0  0  0  0  0999 V2000
    4.5981   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -1.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    6.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    6.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7320   -2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1808   -1.8466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7320   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6830    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
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    2.8660    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 50  1  0  0  0  0
M  END

$$$$
D0UD1Y
  -OEChem-03141904512D

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M  END

$$$$
D0UD4Y
  -OEChem-04152111232D

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M  END

$$$$
D0UF2N
  -OEChem-04152110152D

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M  END

$$$$
D0UF8E
          01280517562D 1   1.00000     0.00000     0

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M  END

$$$$
D0UI3T
  -OEChem-10121501552D

 75 78  0     1  0  0  0  0  0999 V2000
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 45 75  1  0  0  0  0
M  END

$$$$
D0UK1L
  -OEChem-04152111122D

324333  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0UK1Q
          01210517082D 1   1.00000     0.00000     0

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M  END

$$$$
D0UN1S
  -OEChem-04152110442D

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M  END

$$$$
D0UO0C
  -OEChem-03141904492D

 45 49  0     0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D0UO4B
  -OEChem-10101305022D

 72 75  0     1  0  0  0  0  0999 V2000
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 37 72  1  0  0  0  0
M  END

$$$$
D0UP1Z
  -OEChem-10191523072D

 62 66  0     0  0  0  0  0  0999 V2000
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 33 34  1  0  0  0  0
 34 60  1  0  0  0  0
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 34 62  1  0  0  0  0
M  END

$$$$
D0UR4K
  -OEChem-03141904512D

 64 67  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0UT5A
  -OEChem-04152111292D

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$$$$
D0UT7X
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$$$$
D0UU1E
  -OEChem-02061504102D

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M  END

$$$$
D0UV2E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
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HETATM   29  C   UNL     1       1.479   1.817   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.986   1.238   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.701   1.650   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.701   2.475   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.415   2.888   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.130   2.475   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.130   1.650   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.415   1.238   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.986   2.888   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.415   0.413   0.000  1.00  0.00           C  
CONECT    1    6    2   30                                            
CONECT    2    3    1                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    4                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   15                                            
CONECT   11    9                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15   28   29                                       
CONECT   15   14   10                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30    1   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31   38                                            
CONECT   37   32                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0UV4H
          03121101142D 1   1.00000     0.00000     0

 47 51  0     0  0            999 V2000
    1.6208   -1.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2708   -0.9667    0.0000 C   0  0  3  0  0  0           0  0  0
    0.9154   -1.5760    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9436   -3.0780    0.0000 N   0  0  3  0  0  0           0  0  0
    4.3364   -2.0119    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3406   -1.3036    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7250   -1.6541    0.0000 C   0  0  3  0  0  0           0  0  0
    1.8812   -0.6082    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4982   -0.9562    0.0000 N   0  0  3  0  0  0           0  0  0
    1.8742    0.1001    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5013   -1.6634    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1147   -2.0114    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7214   -0.9450    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1040   -0.5931    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3322   -2.7202    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.4427   -4.8964    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4473   -4.1844    0.0000 C   0  0  0  0  0  0           0  0  0
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   11.0532   -5.2557    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6625   -5.6083    0.0000 N   0  0  0  0  0  0           0  0  0
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    6.7485   -6.2762    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.3715   -5.2177    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5211   -6.2633    0.0000 F   0  0  0  0  0  0           0  0  0
    0.6544   -0.6203    0.0000 O   0  0  0  0  0  0           0  0  0
  3  2  1  0     0  0
  2  8  1  0     0  0
  8  9  1  0     0  0
  4 26  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
  8 10  2  0     0  0
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  9 11  1  0     0  0
 27 28  1  0     0  0
  7  6  1  0     0  0
 28 29  1  0     0  0
  9 14  1  0     0  0
 28 30  2  0     0  0
 11 12  1  0     0  0
 29 31  1  0     0  0
 12  7  1  0     0  0
 31 32  1  0     0  0
  7 13  1  0     0  0
 32 33  2  0     0  0
 13 14  1  0     0  0
 33 34  1  0     0  0
  5  7  1  0     0  0
 34 35  2  0     0  0
  5 15  1  0     0  0
 35 36  1  0     0  0
 15  4  1  0     0  0
 36 37  2  0     0  0
 37 32  1  0     0  0
  6 16  2  0     0  0
 35 38  1  0     0  0
 16 17  1  0     0  0
 38 39  3  0     0  0
 17 18  2  0     0  0
 27 40  1  0     0  0
 18 19  1  0     0  0
 40 41  2  0     0  0
 19 20  2  0     0  0
 41 42  1  0     0  0
 20  6  1  0     0  0
 42 43  2  0     0  0
 19 21  1  0     0  0
 43 44  1  0     0  0
  4 22  1  0     0  0
 44 45  2  0     0  0
 45 40  1  0     0  0
 42 46  1  0     0  0
  2  1  1  0     0  0
  2 47  1  0     0  0
M  END

$$$$
D0UW4A
          12070600092D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
    4.9500   -2.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5292   -3.1750    0.0000 N   0  0  0  0  0  0           0  0  0
    4.5292   -2.0167    0.0000 N   0  0  0  0  0  0           0  0  0
    5.6625   -2.5917    0.0000 N   0  0  0  0  0  0           0  0  0
    6.0125   -3.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8500   -2.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8500   -2.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6625   -3.8167    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7250   -3.2042    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2375   -3.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2375   -1.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0750   -3.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6250   -2.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6250   -2.9542    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  4  1  0     0  0
  6  2  1  0     0  0
  7  3  1  0     0  0
  8  5  2  0     0  0
  9  5  1  0     0  0
 10  6  2  0     0  0
 11  7  2  0     0  0
 12  9  1  0     0  0
 13 11  1  0     0  0
 14 10  1  0     0  0
  7  6  1  0     0  0
 13 14  2  0     0  0
M  END

$$$$
D0UX2V
  -OEChem-04152111202D

 67 68  0     1  0  0  0  0  0999 V2000
    5.8660    6.1370    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981   -3.3270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18  7  1  1  0  0  0
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 21 24  1  0  0  0  0
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 21 48  1  0  0  0  0
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 28 29  1  0  0  0  0
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 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
M  END

$$$$
D0V0CJ
  -OEChem-04152109012D

 80 81  0     1  0  0  0  0  0999 V2000
   20.0831    1.2923    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.7199    2.4104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.5141    1.6013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4109   -0.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2408   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 37 80  1  0  0  0  0
M  END

$$$$
D0V0DI
  -OEChem-02041520492D

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  4 25  1  0  0  0  0
  4 76  1  0  0  0  0
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  5 30  1  0  0  0  0
  5 33  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 41  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 14  1  0  0  0  0
 12 45  1  0  0  0  0
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 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 21  1  0  0  0  0
 15 51  1  0  0  0  0
 16 24  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  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 22  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 23  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 25  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 26  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 27  1  0  0  0  0
 24 68  1  0  0  0  0
 24 69  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 28  1  0  0  0  0
 26 72  1  0  0  0  0
 26 73  1  0  0  0  0
 27 74  1  0  0  0  0
 27 75  1  0  0  0  0
 28 29  1  0  0  0  0
 28 77  1  0  0  0  0
 28 78  1  0  0  0  0
 29 31  1  0  0  0  0
 29 79  1  0  0  0  0
 29 80  1  0  0  0  0
 30 32  1  0  0  0  0
 31 35  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 32 34  2  0  0  0  0
 35 84  1  0  0  0  0
 35 85  1  0  0  0  0
 35 86  1  0  0  0  0
 36 87  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
 38 91  1  0  0  0  0
 38 92  1  0  0  0  0
 38 93  1  0  0  0  0
M  END

$$$$
D0V0NL
  -OEChem-10121500322D

 11 10  0     0  0  0  0  0  0999 V2000
    4.2690    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 N   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
    4.8059    0.6900    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
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6200    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
  1  5  1  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  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END

$$$$
D0V0SL
  -OEChem-10121501552D

 52 54  0     0  0  0  0  0  0999 V2000
    4.6783    0.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.4260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -4.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -4.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    3.8056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -3.8901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    3.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    4.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    3.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -2.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -3.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5359    2.7693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3715    3.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211    4.5635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147    4.2061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359    3.4715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704    2.9927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8244    5.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0424    4.9487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    0.6521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    1.0506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -0.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0719   -0.7551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -3.5610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8819   -2.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719   -3.3532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3819   -4.7561    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 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 15  2  0  0  0  0
  4 29  2  0  0  0  0
  5  8  1  0  0  0  0
  5 52  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  7 41  1  0  0  0  0
  8 29  1  0  0  0  0
  8 51  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  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
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 16 20  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 35  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  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 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  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 47  1  0  0  0  0
 25 28  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END

$$$$
D0V0UK
  -OEChem-10101305022D

 18 18  0     0  0  0  0  0  0999 V2000
    4.6261    0.9594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261    1.8254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261    0.0934    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
    5.4921    1.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    0.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.2297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.6278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956   -2.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    1.1494    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  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  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 16  1  0  0  0  0
M  END

$$$$
D0V0VI
          07021001202D 1   1.00000     0.00000     0

 18 20  0     0  0            999 V2000
   -4.6542    3.2500    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.6542    2.3458    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8755    1.9000    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8755    3.7083    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0926    3.2500    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0935    2.3438    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2322    2.0623    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.6995    2.7976    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3641    3.5213    0.0000 S   0  0  0  0  0  0           0  0  0
   -0.8007    2.8478    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3039    2.0891    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0043    2.9434    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5117    3.7021    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5954    2.1376    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.3940    3.6549    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9076    2.9915    0.0000 N   0  0  0  0  0  0           0  0  0
    2.4009    2.2333    0.0000 C  -1  0  0  0  0  0           0  0  0
   -5.4391    3.6988    0.0000 O   0  0  0  0  0  0           0  0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
 10 11  2  0     0  0
  5  4  2  0     0  0
  5  6  1  0     0  0
 12 13  1  0     0  0
  1  2  2  0     0  0
  1  4  1  0     0  0
  2  3  1  0     0  0
 10 15  1  0     0  0
 11 14  1  0     0  0
 14 12  2  0     0  0
 13 15  2  0     0  0
  8 10  1  0     0  0
  3  6  2  0     0  0
 12 16  1  0     0  0
  6  7  1  0     0  0
 16 17  1  0     0  0
  7  8  2  0     0  0
  1 18  1  0     0  0
M  ISO  1  17  11
M  END

$$$$
D0V1FF
          10100700062D 1   1.00000     0.00000     0

 61 62  0     1  0            999 V2000
    8.5417   -2.6292    0.0000 N   0  0  3  0  0  0           0  0  0
    1.2167   -2.5792    0.0000 N   0  0  3  0  0  0           0  0  0
    7.9292   -2.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2167   -1.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3917   -2.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1042   -3.7542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2417   -2.9792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7042   -2.9792    0.0000 N   0  0  0  0  0  0           0  0  0
    3.0167   -2.9792    0.0000 N   0  0  0  0  0  0           0  0  0
    6.0792   -2.6292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3042   -2.6292    0.0000 C   0  0  1  0  0  0           0  0  0
    1.7917   -2.9917    0.0000 C   0  0  2  0  0  0           0  0  0
    9.1167   -3.0542    0.0000 C   0  0  2  0  0  0           0  0  0
    4.8542   -2.6292    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.6208   -1.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4667   -2.9792    0.0000 C   0  0  1  0  0  0           0  0  0
    3.6292   -2.6292    0.0000 C   0  0  1  0  0  0           0  0  0
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   -0.0083   -1.8667    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.2333   -2.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6042   -1.5167    0.0000 C   0  0  1  0  0  0           0  0  0
   10.9417   -4.1292    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8583   -2.9292    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2333   -1.8667    0.0000 C   0  0  2  0  0  0           0  0  0
   10.3292   -3.7667    0.0000 C   0  0  2  0  0  0           0  0  0
    7.9292   -3.6917    0.0000 O   0  0  0  0  0  0           0  0  0
   10.9667   -2.0042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8292   -1.5167    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3917   -1.9292    0.0000 O   0  0  0  0  0  0           0  0  0
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 49 51  1  0     0  0
 52 40  1  0     0  0
M  END

$$$$
D0V1WQ
  -OEChem-10191523082D

 69 72  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D0V2LL
  -OEChem-03141904492D

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   12.7759    1.6904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0061    2.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1600    2.7667    0.0000 H   0  0  0  0  0  0  0  0  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
  1 32  1  0  0  0  0
  2 31  1  0  0  0  0
  3 31  1  0  0  0  0
 14  4  1  1  0  0  0
  4 44  1  0  0  0  0
  5 21  2  0  0  0  0
 13  8  1  6  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 19  1  0  0  0  0
 10 28  1  0  0  0  0
 10 53  1  0  0  0  0
 11 20  2  0  0  0  0
 11 28  1  0  0  0  0
 12 28  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  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
 16 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 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 43  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 25  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
 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 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 29 54  1  0  0  0  0
 30 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

$$$$
D0V2YJ
          01210900202D 1   1.00000     0.00000     0

 33 36  0     1  0            999 V2000
    6.9093    2.2888    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4060    2.0054    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9125    2.8647    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4206    3.1479    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9230    2.8646    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9252    2.2859    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4218    2.0058    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6417    1.7500    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1500    1.4625    0.0000 C   0  0  1  0  0  0           0  0  0
    8.6457    1.1821    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7042   -0.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7042   -1.1625    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1954   -1.4500    0.0000 N   0  0  3  0  0  0           0  0  0
    7.6907   -1.1625    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6907   -0.5917    0.0000 C   0  0  2  0  0  0           0  0  0
    7.1954   -0.3042    0.0000 C   0  0  1  0  0  0           0  0  0
    7.1954    0.2667    0.0000 N   0  0  3  0  0  0           0  0  0
    7.6921    0.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6921    1.1208    0.0000 N   0  0  3  0  0  0           0  0  0
    8.1847    0.2667    0.0000 O   0  0  0  0  0  0           0  0  0
    7.9728    2.0054    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2289    1.4609    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1412    1.4670    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6324    1.7539    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6329    2.3226    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1287    2.6112    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6400    2.3181    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6498    0.6071    0.0000 O   0  0  0  0  0  0           0  0  0
    8.1835   -0.3045    0.0000 F   0  0  0  0  0  0           0  0  0
    7.1954   -2.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7069    0.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4059    3.1465    0.0000 F   0  0  0  0  0  0           0  0  0
    5.4297    1.9962    0.0000 F   0  0  0  0  0  0           0  0  0
  7  1  1  0     0  0
 16 17  1  6     0  0
  9  8  1  1     0  0
 17 18  1  0     0  0
 10  9  1  0     0  0
 18 19  1  0     0  0
  1  3  2  0     0  0
 18 20  2  0     0  0
 19  9  1  0     0  0
  3  4  1  0     0  0
  9 21  1  0     0  0
 21  2  2  0     0  0
  2 22  1  0     0  0
 22 19  1  0     0  0
 11 12  1  0     0  0
  8 23  2  0     0  0
 23 24  1  0     0  0
  4  5  2  0     0  0
 24 25  2  0     0  0
  1  2  1  0     0  0
 25 26  1  0     0  0
  5  6  1  0     0  0
 26 27  2  0     0  0
 27  8  1  0     0  0
 10 28  1  0     0  0
  6  7  2  0     0  0
 15 29  1  6     0  0
 11 16  1  0     0  0
 13 30  1  0     0  0
 12 13  1  0     0  0
 17 31  1  0     0  0
 13 14  1  0     0  0
  3 32  1  0     0  0
 14 15  1  0     0  0
  6 33  1  0     0  0
 15 16  1  0     0  0
M  END

$$$$
D0V3BZ
          09290700152D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
    2.2083   -8.4333    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8218   -8.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4352   -8.4333    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0486   -8.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6621   -8.4333    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0486   -7.3708    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6621   -7.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2755   -8.0792    0.0000 O   0  0  0  0  0  0           0  0  0
    4.6621   -9.1417    0.0000 O   0  0  0  0  0  0           0  0  0
    3.4352   -9.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8218   -9.4958    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0486   -9.4958    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  6  7  1  0     0  0
  3  4  2  0     0  0
  5  8  1  0     0  0
  5  9  2  0     0  0
  4  5  1  0     0  0
  3 10  1  0     0  0
  2  3  1  0     0  0
 10 11  1  0     0  0
  4  6  1  0     0  0
 10 12  2  0     0  0
M  END

$$$$
D0V3FM
  -OEChem-06062108542D

 39 41  0     1  0  0  0  0  0999 V2000
    2.0280    1.3815    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411   -4.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.3815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    4.3815    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8940    3.8815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -3.1573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5691   -2.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -3.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    3.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    5.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786   -3.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -2.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -1.6694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    2.2989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    2.9892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619   -4.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786   -3.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    3.7738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    4.4641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -0.4285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -0.4285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    1.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    2.5715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801    5.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    6.0015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401    5.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056   -5.3815    0.0000 H   0  0  0  0  0  0  0  0  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 13  1  0  0  0  0
  3 39  1  0  0  0  0
  4 14  2  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
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 22  1  0  0  0  0
  8 21  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  6  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  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 28  1  0  0  0  0
 13 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 30  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 20  2  0  0  0  0
 18 33  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
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D0V3HP
  -OEChem-04152111092D

 20 20  0     0  0  0  0  0  0999 V2000
    6.0010    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  5  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
    4.2690    1.2500    0.0000 N   0  3  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
    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
    5.1350   -1.2500    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
    4.2690   -1.7500    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
    5.6720   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5600    0.0000 H   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
    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
    6.5571   -0.7869    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
    7.1771    0.2869    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  4  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  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
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  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   4   1
M  END

$$$$
D0V3UN
  -OEChem-04152110192D

 91 93  0     1  0  0  0  0  0999 V2000
    6.3301   -2.5000    0.0000 S   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
    2.8660   -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
    4.5981   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 O   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
    8.0622   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    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  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    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    2.5000    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
    2.0000    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  1  0  0  0  0  0  0  0  0  0
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    6.3301   -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
    7.1962   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.7942   -0.5000    0.0000 C   0  0  2  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
   10.6603   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21  2  1  6  0  0  0
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 20  9  1  6  0  0  0
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 36 81  1  0  0  0  0
 37 82  1  0  0  0  0
 37 83  1  0  0  0  0
 38 84  1  0  0  0  0
 38 85  1  0  0  0  0
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 39 41  1  0  0  0  0
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 40 42  2  0  0  0  0
 40 88  1  0  0  0  0
 41 43  2  0  0  0  0
 41 89  1  0  0  0  0
 42 43  1  0  0  0  0
 42 90  1  0  0  0  0
 43 91  1  0  0  0  0
M  END

$$$$
D0V3ZN
          08070900512D 1   1.00000     0.00000     0

 36 34  0     1  0            999 V2000
    4.4333   -3.6584    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0167   -4.2417    0.0000 N   0  0  0  0  0  0           0  0  0
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 12 16  1  0     0  0
 13  8  1  0     0  0
 14  4  2  0     0  0
 15 10  2  0     0  0
 16 15  1  0     0  0
 17  9  1  0     0  0
 18 12  1  0     0  0
 19 12  1  0     0  0
 20  8  1  0     0  0
 21 11  2  0     0  0
 22 17  2  0     0  0
 23 21  1  0     0  0
 24 13  1  0     0  0
 25 20  1  0     0  0
 26 24  1  0     0  0
  6  9  2  0     0  0
 15 22  1  0     0  0
 13 23  2  0     0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  5  7  1  0     0  0
  6  2  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
  4  7  1  1     0  0
  8  5  2  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
  9  3  1  0     0  0
 10  6  1  0     0  0
 11  5  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
M  CHG  2   3  -1  27   1
M  END

$$$$
D0V4DX
  -OEChem-04152110502D

 49 53  0     1  0  0  0  0  0999 V2000
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 25 26  2  0  0  0  0
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 26 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

$$$$
D0V4HO
  -OEChem-03141904522D

 65 68  0     0  0  0  0  0  0999 V2000
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   10.7588    4.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3049    3.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7798    4.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1721    5.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2222    5.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    4.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    3.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 38  2  0  0  0  0
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 29 37  2  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 35  1  0  0  0  0
 31 54  1  0  0  0  0
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 34 35  2  0  0  0  0
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 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
M  END

$$$$
D0V4MB
  -OEChem-10101305032D

 75 77  0     1  0  0  0  0  0999 V2000
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   14.5269    3.4526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  2  1  1  0  0  0
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 12  3  1  1  0  0  0
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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
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
M  END

$$$$
D0V4UO
  -OEChem-02041520402D

 27 29  0     0  0  0  0  0  0999 V2000
    4.9889    1.7577    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5406   -1.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6097    1.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8007   -0.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2619    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497   -0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4976    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  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  6 12  2  0  0  0  0
  7 16  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 23  1  0  0  0  0
 10 16  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END

$$$$
D0V4YO
          11280715192D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
    3.3292   -2.2042    0.0000 N   0  0  3  0  0  0           0  0  0
    2.5500   -1.9500    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8292   -2.3667    0.0000 N   0  0  0  0  0  0           0  0  0
    3.3292   -0.8667    0.0000 N   0  0  0  0  0  0           0  0  0
    2.5500   -1.1250    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8167   -1.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1167   -1.9542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3292   -3.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1167   -1.1250    0.0000 N   0  0  0  0  0  0           0  0  0
    1.8292   -0.7125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0417   -3.4417    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4042   -2.3667    0.0000 N   0  0  0  0  0  0           0  0  0
    4.0375   -4.2667    0.0000 C   0  0  3  0  0  0           0  0  0
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    2.6042   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.1750   -5.5042    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.1792   -4.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8875   -5.4917    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  6  2  0     0  0
  5  2  2  0     0  0
  6  1  1  0     0  0
  7  3  2  0     0  0
  8  1  1  0     0  0
  9 10  2  0     0  0
 10  5  1  0     0  0
 11  8  1  0     0  0
 12  7  1  0     0  0
 13 11  1  0     0  0
 14 16  1  0     0  0
 15 17  1  0     0  0
 16 13  1  0     0  0
 17 13  1  0     0  0
 18 14  1  0     0  0
 19 15  1  0     0  0
 20 18  1  0     0  0
 21 18  1  0     0  0
 22 19  1  0     0  0
 23 19  1  0     0  0
  4  5  1  0     0  0
  9  7  1  0     0  0
M  END

$$$$
D0V4ZQ
  -OEChem-10191523012D

 52 55  0     0  0  0  0  0  0999 V2000
    9.3901    0.3506    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605   -1.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3901    0.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3901    0.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949   -1.2330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8901   -2.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -2.6410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2562    1.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2562    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1501    1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3901    3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7842   -1.0404    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
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  2 19  1  0  0  0  0
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  5 31  1  0  0  0  0
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  7 18  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 14  1  0  0  0  0
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 14 23  1  0  0  0  0
 14 25  2  0  0  0  0
 15 18  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
 16 21  1  0  0  0  0
 17 24  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
 19 37  1  0  0  0  0
 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
 22 26  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 27  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END

$$$$
D0V5FQ
          01210517132D 1   1.00000     0.00000     0

 33 35  0     0  0            999 V2000
    1.8667   -2.3917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7792   -1.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3167   -2.3792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1667   -1.3167    0.0000 N   0  0  0  0  0  0           0  0  0
    7.3917   -1.3167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2417   -2.7417    0.0000 C   0  0  3  0  0  0           0  0  0
    4.3167   -1.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9292   -2.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5542   -1.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7042   -2.7417    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8667   -1.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4792   -2.7417    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.2417   -3.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0917   -2.3917    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  4  1  0     0  0
  3 10  1  0     0  0
  4  9  1  0     0  0
  5  2  1  0     0  0
  6  1  1  0     0  0
  7  3  1  0     0  0
  8  3  2  0     0  0
  9 14  2  0     0  0
 10 16  1  0     0  0
 11  1  1  0     0  0
 12  1  2  0     0  0
 13  7  2  0     0  0
 14  8  1  0     0  0
 15  6  1  0     0  0
 16 12  1  0     0  0
 17  2  2  0     0  0
 18  5  2  0     0  0
 19 11  2  0     0  0
 20 15  1  0     0  0
 21 15  2  0     0  0
 22  6  1  0     0  0
 23 16  2  0     0  0
 24 27  2  0     0  0
 25  5  1  0     0  0
 26 20  2  0     0  0
 27 21  1  0     0  0
 28 11  1  0     0  0
 29 24  1  0     0  0
 30  8  1  0     0  0
 31  7  1  0     0  0
 32 25  1  0     0  0
 33 32  1  0     0  0
 23 19  1  0     0  0
 26 24  1  0     0  0
  9 13  1  0     0  0
M  END

$$$$
D0V5JO
  -OEChem-04152110452D

289281  0     1  0  0  0  0  0999 V2000
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   13.1408    2.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0069    4.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4710    5.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2030    4.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0069    7.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7389    8.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4710    7.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2748    5.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5428    4.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5428    2.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D0V5WL
  -OEChem-10111523302D

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 16  9  1  1  0  0  0
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 14 10  1  1  0  0  0
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 23 13  1  1  0  0  0
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 14 15  1  0  0  0  0
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 16 22  1  0  0  0  0
 16 44  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 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 27  1  0  0  0  0
 23 26  1  0  0  0  0
 23 29  1  0  0  0  0
 23 51  1  0  0  0  0
 24 30  1  0  0  0  0
 24 54  1  0  0  0  0
 25 31  2  0  0  0  0
 25 55  1  0  0  0  0
 26 28  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 35  2  0  0  0  0
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 30 33  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 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 35 37  1  0  0  0  0
 35 67  1  0  0  0  0
 36 38  2  0  0  0  0
 36 68  1  0  0  0  0
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 38 40  1  0  0  0  0
 38 71  1  0  0  0  0
 39 72  1  0  0  0  0
 39 73  1  0  0  0  0
 39 74  1  0  0  0  0
M  END

$$$$
D0V6AB
          01210517132D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
    3.6042   -2.7792    0.0000 N   0  0  3  0  0  0           0  0  0
    3.6042   -3.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2167   -2.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8292   -2.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2167   -3.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8292   -3.4875    0.0000 N   0  0  0  0  0  0           0  0  0
    2.9917   -3.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4417   -2.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9917   -2.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9917   -1.7167    0.0000 C   0  0  3  0  0  0           0  0  0
    4.2167   -1.7167    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6375   -1.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3417   -1.1042    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.3792   -3.4917    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.1500   -3.4917    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.1500   -2.7792    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  3  1  0     0  0
  5  2  1  0     0  0
  6  4  1  0     0  0
  7  2  2  0     0  0
  8  4  2  0     0  0
  9  1  1  0     0  0
 10  9  1  0     0  0
 11  3  2  0     0  0
 12 10  1  0     0  0
 13 10  1  0     0  0
 14  5  2  0     0  0
 15  8  1  0     0  0
 16  7  1  0     0  0
 17 20  2  0     0  0
 18 15  1  0     0  0
 19 15  2  0     0  0
 20 19  1  0     0  0
 21 18  2  0     0  0
 22 17  1  0     0  0
 23 16  2  0     0  0
 24 16  1  0     0  0
 25 22  1  0     0  0
 26 24  2  0     0  0
 27 23  1  0     0  0
 28 26  1  0     0  0
 13 12  1  0     0  0
  5  6  1  0     0  0
 21 17  1  0     0  0
 27 28  2  0     0  0
M  END

$$$$
D0V6AH
  -OEChem-04152110562D

 23 23  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
    4.5981    3.0000    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
    4.5981    2.0000    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
    2.8660    0.0000    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
    2.8660    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
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.6077    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
    4.2690   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    2.5369    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
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    2.8660   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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 10  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  7  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 16  1  0  0  0  0
  9 12  2  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
 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
 13 23  1  0  0  0  0
M  END

$$$$
D0V6OZ
  -OEChem-03141904522D

 19 20  0     0  0  0  0  0  0999 V2000
    2.0000    1.7673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2673    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2535    0.0000 N   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
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    2.8660    0.2673    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
    4.6260    0.3020    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
    2.0000   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6188   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  3  7  1  0  0  0  0
  4 12  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  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 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  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
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

$$$$
D0V6XW
  -OEChem-04152122292D

 87 88  0     0  0  0  0  0  0999 V2000
   20.1865    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    7.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7500    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
    8.0622    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.2500    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
    2.0000   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.5263    9.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  1  0  0  0  0
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 32 67  1  0  0  0  0
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 35 72  1  0  0  0  0
 36 37  1  0  0  0  0
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 36 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 38 39  1  0  0  0  0
 38 77  1  0  0  0  0
 38 78  1  0  0  0  0
 39 79  1  0  0  0  0
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 41 42  1  0  0  0  0
 41 81  1  0  0  0  0
 41 82  1  0  0  0  0
 42 83  1  0  0  0  0
 42 84  1  0  0  0  0
 44 85  1  0  0  0  0
 44 86  1  0  0  0  0
 44 87  1  0  0  0  0
M  CHG  1  13   1
M  END

$$$$
D0V7PL
          01210517092D 1   1.00000     0.00000     0

 32 34  0     1  0            999 V2000
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   -0.5500   -1.7292    0.0000 O   0  0  0  0  0  0           0  0  0
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  2  4  1  0     0  0
  3  1  1  0     0  0
  4 11  1  0     0  0
  5  1  1  0     0  0
  6 13  1  0     0  0
  7  3  1  0     0  0
  8 10  1  0     0  0
  9  3  2  0     0  0
  6 10  1  6     0  0
 11 27  1  1     0  0
 12  2  2  0     0  0
 13 11  1  0     0  0
 14 20  1  0     0  0
 15 14  1  0     0  0
 16  5  2  0     0  0
 17  8  2  0     0  0
 18  7  2  0     0  0
 19  7  1  0     0  0
 20 19  2  0     0  0
 21 18  1  0     0  0
 22 15  2  0     0  0
 23 15  1  0     0  0
 24 26  1  0     0  0
 25  5  1  0     0  0
 26 29  1  0     0  0
 27 24  1  0     0  0
 28 22  1  0     0  0
 29 23  2  0     0  0
 30  8  1  0     0  0
 31 25  1  0     0  0
 32 30  1  0     0  0
 14 21  2  0     0  0
 26 28  2  0     0  0
  2  6  1  0     0  0
M  END

$$$$
D0V7SO
  -OEChem-04152111262D

 64 66  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
M  END

$$$$
D0V7US
  -OEChem-04152111062D

 67 71  0     1  0  0  0  0  0999 V2000
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 42 43  2  0  0  0  0
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 43 67  1  0  0  0  0
M  END

$$$$
D0V7YA
  -OEChem-10101305032D

 88 88  0     0  0  0  0  0  0999 V2000
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    5.9301    4.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3287    5.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6400    5.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415    4.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2381    9.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8396    9.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282    9.0374    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
  3 21  1  0  0  0  0
  3 23  1  0  0  0  0
  4 35  1  0  0  0  0
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 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 20  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 21  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  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
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 31  1  0  0  0  0
 25 59  1  0  0  0  0
 26 32  2  0  0  0  0
 26 60  1  0  0  0  0
 27 29  1  0  0  0  0
 27 62  1  0  0  0  0
 28 30  2  0  0  0  0
 28 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 34  2  0  0  0  0
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 32 34  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
 35 36  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
 37 38  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
 39 40  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
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 42 43  1  0  0  0  0
 42 82  1  0  0  0  0
 42 83  1  0  0  0  0
 43 84  1  0  0  0  0
 43 85  1  0  0  0  0
 45 86  1  0  0  0  0
 45 87  1  0  0  0  0
 45 88  1  0  0  0  0
M  CHG  2   2  -1  14   1
M  END

$$$$
D0V8AG
  -OEChem-04152109042D

101102  0     1  0  0  0  0  0999 V2000
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 57 58  1  0  0  0  0
 57 98  1  0  0  0  0
 57 99  1  0  0  0  0
M  END

$$$$
D0V8AP
          08290900312D 1   1.00000     0.00000     0

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    1.4138    1.2759    0.0000 N   0  0  0  0  0  0           0  0  0
    0.9621   -0.3241    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3069   -1.0724    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1276    0.8724    0.0000 S   0  0  3  0  0  0           0  0  0
    1.7207    0.1448    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5414    1.5931    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8552    0.4586    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.7517   -1.2310    0.0000 Cl  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
  2  5  2  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  5  9  1  0     0  0
  6 10  1  0     0  0
  6 11  2  0     0  0
  9 12  1  0     0  0
  9 13  2  0     0  0
 10 14  2  0     0  0
 10 15  1  0     0  0
 12 16  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 16 19  1  0     0  0
 19 20  1  0     0  0
 19 21  2  0     0  0
 19 22  2  0     0  0
  7  8  2  0     0  0
 17 18  2  0     0  0
M  CHG  2   1   1  23  -1
M  END

$$$$
D0V9BU
  -OEChem-10101305032D

 42 45  0     0  0  0  0  0  0999 V2000
    6.8834   -0.5346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7512   -0.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.0000    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
    4.2690   -2.0000    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
    5.1350   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8038   -0.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2315    0.8891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2894   -0.4314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.3100    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
    7.4040   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 30  1  0  0  0  0
  5 13  1  0  0  0  0
  5 36  1  0  0  0  0
  6 22  2  0  0  0  0
  7 27  1  0  0  0  0
  7 40  1  0  0  0  0
  8 27  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 23  1  0  0  0  0
 10 25  1  0  0  0  0
 11 25  1  0  0  0  0
 11 29  2  0  0  0  0
 12 29  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 31  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  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
 20 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 26 28  1  0  0  0  0
 28 30  2  0  0  0  0
 28 39  1  0  0  0  0
 29 30  1  0  0  0  0
M  END

$$$$
D0V9FU
          01260701012D 1   1.00000     0.00000     0

 53 56  0     1  0            999 V2000
    4.6458   -2.5083    0.0000 Pd  0  2  0  0  0  0           0  0  0
    0.1856   -4.2195    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1547   -4.9290    0.0000 S   0  0  3  0  0  0           0  0  0
   -0.4406   -4.5400    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8627   -4.9361    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2058   -5.5265    0.0000 O   0  0  0  0  0  0           0  0  0
    1.2283   -4.3203    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4307   -3.8129    0.0000 C   0  0  2  0  0  0           0  0  0
    5.8647   -4.1916    0.0000 C   0  0  2  0  0  0           0  0  0
    6.2632   -3.1067    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2586   -3.7904    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5208   -3.0828    0.0000 N   0  0  0  0  0  0           0  0  0
    6.6430   -2.4976    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3250   -1.1021    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7593   -4.1094    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3055   -1.8436    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2267   -3.8453    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.3417   -3.0648    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1131   -1.8008    0.0000 N   0  0  0  0  0  0           0  0  0
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    5.5721   -1.8446    0.0000 N   0  5  0  0  0  0           0  0  0
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    6.5314   -1.1441    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.8540   -1.1079    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4728   -5.2323    0.0000 C   0  0  0  0  0  0           0  0  0
 23 17  1  0     0  0
 24 16  1  0     0  0
 25 19  2  0     0  0
 26 16  2  0     0  0
 27 17  1  0     0  0
 28 14  1  0     0  0
 29 26  1  0     0  0
 30 27  2  0     0  0
 31 21  1  0     0  0
  9  8  1  0     0  0
 10 12  1  0     0  0
 19 30  1  0     0  0
 29 18  2  0     0  0
 28 31  1  0     0  0
 14 20  1  0     0  0
  8 32  1  6     0  0
 26 33  1  0     0  0
  5  3  1  0     0  0
 33 34  1  0     0  0
 33 35  2  0     0  0
  3  6  1  0     0  0
 29 36  1  0     0  0
 28 37  1  6     0  0
  3  2  2  0     0  0
 31 38  1  1     0  0
  4  3  2  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  2  0     0  0
 10  8  1  0     0  0
 40 42  1  0     0  0
 11  9  1  0     0  0
 25 43  1  0     0  0
 12 11  2  0     0  0
 43 44  1  0     0  0
 13 10  2  0     0  0
 44 45  1  0     0  0
 14 22  2  0     0  0
 44 46  2  0     0  0
 15 11  1  0     0  0
 30 47  1  0     0  0
 16 13  1  0     0  0
 47 48  2  0     0  0
 17 15  2  0     0  0
 47 49  1  0     0  0
 49  7  1  0     0  0
 18 24  1  0     0  0
 27 50  1  0     0  0
 19 23  1  0     0  0
  9 51  1  1     0  0
  7  5  1  0     0  0
 20 21  2  0     0  0
 45 52  1  0     0  0
 21 25  1  0     0  0
 51 53  1  0     0  0
 22 18  1  0     0  0
M  CHG  3   1   2  23  -1  24  -1
M  END

$$$$
D0V9IE
  -OEChem-10101305022D

 46 46  0     1  0  0  0  0  0999 V2000
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    2.2690    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  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    6.6200    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
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    4.0010   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981    8.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    9.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    9.9300    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
    3.7890   11.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3905   11.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040   12.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7  2  1  1  0  0  0
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M  END

$$$$
D0V9LJ
  -OEChem-08252108082D

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M  END

$$$$
D0V9LY
  -OEChem-10101305032D

 20 21  0     0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END

$$$$
D0V9MR
  -OEChem-04152122322D

 74 78  0     1  0  0  0  0  0999 V2000
    7.2909   -3.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2104    3.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2104    0.5016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5924   -5.4332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6882   -1.4470    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9470   -0.4811    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0872   -1.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3460   -0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3164    0.0169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8922   -2.5444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5409   -0.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1488    4.3933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750    4.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9225    6.4143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0998    5.9394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5904    2.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9267   -2.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7790   -5.5248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  2  0  0  0  0
  2 24  2  0  0  0  0
  3 34  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
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  5 19  1  0  0  0  0
  5 49  1  0  0  0  0
  6 16  2  0  0  0  0
  6 25  1  0  0  0  0
  7 29  1  0  0  0  0
 33  7  1  1  0  0  0
  7 63  1  0  0  0  0
  8 34  1  0  0  0  0
  8 73  1  0  0  0  0
  8 74  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 38  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 39  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 42  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
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 15 48  1  0  0  0  0
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 17 23  2  0  0  0  0
 17 50  1  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
 18 51  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
 29 32  2  0  0  0  0
 30 32  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 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 64  1  0  0  0  0
 35 37  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
M  END

$$$$
D0V9QR
  -OEChem-10101305032D

 26 27  0     1  0  0  0  0  0999 V2000
    4.5411   -0.8613    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -1.8123    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
    4.2320   -1.8123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.1350    0.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951    4.0365    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  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  4 13  2  0  0  0  0
  8  5  1  6  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  2  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  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
 10 11  1  6  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  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

$$$$
D0V9UA
          09301001012D 1   1.00000     0.00000     0

112111  0     1  0            999 V2000
   15.5859   -6.3872    0.0000 C   0  0  3  0  0  0           0  0  0
   15.2292   -5.7709    0.0000 O   0  0  0  0  0  0           0  0  0
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   14.1609   -6.3747    0.0000 C   0  0  2  0  0  0           0  0  0
   14.5095   -6.9949    0.0000 C   0  0  1  0  0  0           0  0  0
   15.2220   -6.9990    0.0000 C   0  0  2  0  0  0           0  0  0
   14.1661   -5.1470    0.0000 C   0  0  0  0  0  0           0  0  0
   14.5239   -4.5315    0.0000 O   0  5  0  0  0  0           0  0  0
   13.4537   -5.1429    0.0000 O   0  0  0  0  0  0           0  0  0
   15.5761   -7.6191    0.0000 O   0  0  0  0  0  0           0  0  0
   13.4526   -6.3685    0.0000 O   0  0  0  0  0  0           0  0  0
   14.1500   -7.6052    0.0000 O   0  0  0  0  0  0           0  0  0
   13.4443   -7.0820    0.0000 H   0  0  0  0  0  0           0  0  0
   12.8317   -6.7247    0.0000 C   0  0  2  0  0  0           0  0  0
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   11.4120   -5.4845    0.0000 C   0  0  0  0  0  0           0  0  0
   11.7697   -4.8690    0.0000 O   0  5  0  0  0  0           0  0  0
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   12.8219   -7.9566    0.0000 O   0  0  0  0  0  0           0  0  0
   10.6908   -7.4166    0.0000 H   0  0  0  0  0  0           0  0  0
   10.0752   -7.0588    0.0000 C   0  0  2  0  0  0           0  0  0
    9.7185   -6.4425    0.0000 O   0  0  0  0  0  0           0  0  0
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   10.0654   -8.2907    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.4875   -8.3411    0.0000 C   0  0  1  0  0  0           0  0  0
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    3.1441   -6.4933    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5019   -5.8778    0.0000 O   0  5  0  0  0  0           0  0  0
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    0.7405   -7.4505    0.0000 C   0  0  2  0  0  0           0  0  0
    0.3847   -8.0584    0.0000 C   0  0  2  0  0  0           0  0  0
    0.7333   -8.6786    0.0000 C   0  0  1  0  0  0           0  0  0
    1.4458   -8.6828    0.0000 C   0  0  2  0  0  0           0  0  0
    0.3900   -6.8308    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7477   -6.2153    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.3225   -6.8266    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.3277   -8.0533    0.0000 O   0  0  0  0  0  0           0  0  0
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   -0.3319   -8.7658    0.0000 H   0  0  0  0  0  0           0  0  0
   -0.9474   -8.4080    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3041   -7.7917    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.0166   -7.7875    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.3724   -8.3955    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.0238   -9.0157    0.0000 C   0  0  1  0  0  0           0  0  0
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   -2.3672   -7.1679    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.0583   -8.1292    0.0000 O   0  0  0  0  0  0           0  0  0
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   -5.1266   -8.7330    0.0000 C   0  0  2  0  0  0           0  0  0
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   -4.0655   -9.3574    0.0000 C   0  0  2  0  0  0           0  0  0
   -5.1214   -7.5054    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.7636   -6.8899    0.0000 O   0  5  0  0  0  0           0  0  0
   -5.8338   -7.5012    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.8391   -8.7279    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.1366   -9.9682    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.7114   -9.9774    0.0000 O   0  0  0  0  0  0           0  0  0
   16.2942   -6.3914    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.3250   -7.2250    0.0000 Na  0  3  0  0  0  0           0  0  0
   -1.6083   -7.0042    0.0000 Na  0  3  0  0  0  0           0  0  0
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    3.8834   -6.3500    0.0000 Na  0  3  0  0  0  0           0  0  0
    6.6959   -6.0667    0.0000 Na  0  3  0  0  0  0           0  0  0
    9.4417   -5.6917    0.0000 Na  0  3  0  0  0  0           0  0  0
   12.2792   -5.3792    0.0000 Na  0  3  0  0  0  0           0  0  0
   15.0875   -5.0042    0.0000 Na  0  3  0  0  0  0           0  0  0
  6  1  1  0     0  0
 45 51  1  1     0  0
 53 49  1  0     0  0
 53 52  1  6     0  0
 20 21  1  0     0  0
 54 55  1  0     0  0
 20 22  2  0     0  0
  3  7  1  6     0  0
 17 23  1  6     0  0
 18 24  1  1     0  0
 54 53  1  0     0  0
 55 56  1  0     0  0
 56 57  1  0     0  0
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 58 53  1  0     0  0
  7  8  1  0     0  0
 55 59  1  6     0  0
 19 25  1  1     0  0
 59 60  1  0     0  0
 27 23  1  0     0  0
 59 61  2  0     0  0
 27 26  1  6     0  0
 58 62  1  1     0  0
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  7  9  2  0     0  0
 57 64  1  1     0  0
 28 29  1  0     0  0
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  6 10  1  1     0  0
  2  3  1  0     0  0
  4 11  1  6     0  0
 28 27  1  0     0  0
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 68 69  1  0     0  0
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 29 30  1  0     0  0
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 30 31  1  0     0  0
 72 73  1  0     0  0
 31 32  1  0     0  0
 72 74  2  0     0  0
 32 27  1  0     0  0
 69 75  1  6     0  0
  5 12  1  1     0  0
 70 76  1  1     0  0
 29 33  1  6     0  0
 71 77  1  1     0  0
 79 75  1  0     0  0
 79 78  1  6     0  0
 33 34  1  0     0  0
 80 81  1  0     0  0
 14 11  1  0     0  0
 33 35  2  0     0  0
 14 13  1  6     0  0
 32 36  1  1     0  0
 80 79  1  0     0  0
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 82 83  1  0     0  0
 83 84  1  0     0  0
 84 79  1  0     0  0
 30 37  1  6     0  0
 81 85  1  6     0  0
 15 16  1  0     0  0
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 31 38  1  1     0  0
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 40 37  1  0     0  0
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 40 39  1  6     0  0
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 92 89  1  0     0  0
 92 91  1  6     0  0
 41 42  1  0     0  0
 93 94  1  0     0  0
  2  1  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
 15 14  1  0     0  0
 16 17  1  0     0  0
 93 92  1  0     0  0
 94 95  1  0     0  0
 95 96  1  0     0  0
 96 97  1  0     0  0
 97 92  1  0     0  0
 41 40  1  0     0  0
 94 98  1  6     0  0
 42 43  1  0     0  0
 98 99  1  0     0  0
 43 44  1  0     0  0
 98100  2  0     0  0
 44 45  1  0     0  0
 95101  1  6     0  0
 45 40  1  0     0  0
 96102  1  1     0  0
 17 18  1  0     0  0
 97103  1  1     0  0
 42 46  1  6     0  0
  1104  1  0     0  0
 18 19  1  0     0  0
 46 47  1  0     0  0
 19 14  1  0     0  0
 46 48  2  0     0  0
  5  6  1  0     0  0
 43 49  1  6     0  0
 16 20  1  6     0  0
 44 50  1  1     0  0
M  CHG  8   8  -1  21  -1  34  -1  47  -1  60  -1  73  -1  86  -1  99  -1
M  CHG  8 105   1 106   1 107   1 108   1 109   1 110   1 111   1 112   1
M  END

$$$$
D0VA4Y
  -OEChem-10101305032D

 69 71  0     1  0  0  0  0  0999 V2000
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    5.8179    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016    4.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016    3.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198   11.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538   10.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198   12.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198   10.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538    9.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198    9.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877    9.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198    8.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877    8.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538    7.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1050    5.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3079    5.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8370    4.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400    4.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658    0.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3843    0.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0701    1.7708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1833    0.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165    0.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1372    3.5998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.7754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1372    3.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5735    3.8760    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  2  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
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  4 17  1  0  0  0  0
  5 13  1  0  0  0  0
  5 18  1  0  0  0  0
  6 15  1  0  0  0  0
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  7 19  1  0  0  0  0
 10 53  1  0  0  0  0
 10 54  1  0  0  0  0
 11 24  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  1  0  0  0
 14 19  1  6  0  0  0
 15 16  1  0  0  0  0
 15 36  1  1  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
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 22 51  1  0  0  0  0
 22 52  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 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 55  1  0  0  0  0
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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
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 65  1  0  0  0  0
 30 32  2  0  0  0  0
 30 66  1  0  0  0  0
 31 33  2  0  0  0  0
 31 67  1  0  0  0  0
 32 33  1  0  0  0  0
 32 68  1  0  0  0  0
 33 69  1  0  0  0  0
M  END

$$$$
D0VA9Z
  -OEChem-03141904512D

 55 55  0     1  0  0  0  0  0999 V2000
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    4.8671    4.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   12.8521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 28 30  2  0  0  0  0
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 29 50  1  0  0  0  0
M  END

$$$$
D0VB4X
  -OEChem-04152111322D

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M  END

$$$$
D0VC8Z
  -OEChem-03141904492D

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    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
 13  1  1  6  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
 14  4  1  1  0  0  0
  4 38  1  0  0  0  0
 15  5  1  6  0  0  0
  5 39  1  0  0  0  0
 16  6  1  6  0  0  0
  6 40  1  0  0  0  0
 17  7  1  1  0  0  0
  7 41  1  0  0  0  0
 18  8  1  1  0  0  0
  8 42  1  0  0  0  0
 19  9  1  6  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 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 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 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  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 22  1  6  0  0  0
 20 32  1  0  0  0  0
 21 23  1  1  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

$$$$
D0VD6Q
  -OEChem-03141904522D

 27 25  0     1  0  0  0  0  0999 V2000
    1.4030    1.1200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1350    5.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0010    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    6.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    0.1451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.1451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.8100    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
  9  2  1  1  0  0  0
  2 17  1  0  0  0  0
 10  3  1  1  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  8 13  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 12  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
 13 14  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
M  END

$$$$
D0VD8S
  -OEChem-04152111322D

788799  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
    3.4030    5.7409    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
    2.5369    4.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9664   11.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   17.7279    9.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7494    6.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3336    4.7220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6394    5.0821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8105    8.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3020    6.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0004    9.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2439    8.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2220    7.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.5661   -4.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.9450    0.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.3227   -3.2247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.6871    4.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8256    8.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   32.6649   -2.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   25.8691    1.9731    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
   40.0254    6.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.4573  -11.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.7480   -7.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8471    1.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   49.7046   -1.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.5267    0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.0059  -10.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7382    7.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.0574   -1.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2080   11.7734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6453   10.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6516    7.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0149    7.6794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6403    8.0067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9567    9.2851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5821    9.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   52.2790   -3.6406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.3051    2.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1783    7.5024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   54.9044   -3.3132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.9013    0.5486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   49.9626   -4.9189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.4436    6.1355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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