QQA
  CCTOOLS-0919241038

 60 63  0  0  0  0  0  0  0  0999 V2000
    8.6910    0.4440   -0.1500 C   0  0  0  0  0
    8.4110   -0.8990    0.0730 C   0  0  0  0  0
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    3.7000   -0.0740   -0.0550 C   0  0  0  0  0
    2.3950   -0.8610    0.0780 C   0  0  0  0  0
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   10.0920    0.9130   -0.2290 N   0  3  0  0  0
    9.4560   -1.8040    0.2170 N   0  0  0  0  0
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    4.8370   -0.9840    0.1010 N   0  0  0  0  0
   10.4020    1.9900    0.2490 O   0  5  0  0  0
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    4.6840   -1.9280    0.2610 H   0  0  0  0  0
  1 21  1  0  0  0
  1 25  1  0  0  0
  2  1  2  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  6 28  1  0  0  0
  7  6  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
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  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 36  1  0  0  0
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 20 21  2  0  0  0
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 22 23  1  0  0  0
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 23 24  1  0  0  0
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 24  3  1  0  0  0
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 25 32  1  0  0  0
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 31 19  1  0  0  0
 31 60  1  0  0  0
 33 25  2  0  0  0
 34 14  2  0  0  0
 35 13  1  0  0  0
M  CHG  1  25   1
M  CHG  1  32  -1
M  END
$$$$
