A1JKE
  CCTOOLS-0828261229

 53 61  0  0  0  0  0  0  0  0999 V2000
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    1.4710   -0.5290    4.5470 C   0  0  0  0  0
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    0.1760    1.5930    4.5180 C   0  5  0  0  0
    0.3120   -2.8050    4.7790 C   0  0  0  0  0
    0.0950    0.2640    3.2580 RU  0  0  0  0  0
    0.2760   -1.2800    4.6860 C   0  5  0  0  0
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    0.1110    3.1190    4.4940 C   0  0  0  0  0
    2.6970    1.7220    4.3360 C   0  0  0  0  0
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   -2.5880   -0.2660   -1.3810 H   0  0  0  0  0
  1 12  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  9  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4 20  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 22  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 20  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 13  1  0  0  0
  8  1  2  0  0  0
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  9  4  1  0  0  0
 10  1  1  0  0  0
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 11 13  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 13 14  2  0  0  0
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 15 14  1  0  0  0
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 15 41  1  0  0  0
 15 42  1  0  0  0
 16 19  1  0  0  0
 16 43  1  0  0  0
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 17 10  1  0  0  0
 17 46  1  0  0  0
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 18 51  1  0  0  0
 19 10  2  0  0  0
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 21  9  1  0  0  0
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 21 53  1  0  0  0
 22  6  1  0  0  0
 22 21  1  0  0  0
 23  3  1  0  0  0
 23  5  1  0  0  0
M  CHG  1  10  -1
M  CHG  1  13  -1
M  CHG  1  14  -1
M  CHG  1  19  -1
M  CHG  1  20  -2
M  END
$$$$
