化学加——结构式展示

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化学加
作者：黄炜
 邮箱：hwstu@sohu.com  
 49 53  0  0  0  0  0  0  0  0999 V2000
     10.51      2.55      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      9.82      1.58      0.00 N   0  0  0  0  0  0  0  0  0  0  0  0
     11.64      2.19      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      9.80      3.50      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
     11.42      3.14      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      8.69      1.94      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
     10.53      0.63      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
     11.65      1.01      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
     12.67      1.60      0.00 N   0  0  0  0  0  0  0  0  0  0  0  0
      8.68      3.13      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
     10.28      4.27      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
     11.60      4.09      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      7.67      1.34      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      7.64      3.71      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
     11.19      4.25      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      6.63      1.92      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      7.69      0.37      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      6.62      3.11      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      7.67      4.76      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
     11.66      5.03      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      5.70      1.36      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      5.62      3.76      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
     11.13      5.70      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
     12.57      5.01      0.00 N   0  0  0  0  0  0  0  0  0  0  0  0
      3.72      3.21      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      3.77      2.28      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      2.89      3.64      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      2.98      1.77      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      4.45      1.88      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      2.10      3.14      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      2.15      2.20      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      2.97      1.07      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      4.49      1.14      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      1.26      3.43      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      1.50      1.79      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      2.32      0.68      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      5.15      0.70      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      3.88      0.73      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      0.80      4.16      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      0.74      2.14      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      2.26      0.00      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      1.66      1.04      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      1.17      4.91      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      0.80      2.91      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      0.00      1.63      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      0.71      5.65      0.00 O   0  0  0  0  0  0  0  0  0  0  0  0
      2.05      5.07      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
     11.95      3.17      0.00 H   0  0  0  0  0  0  0  0  0  0  0  0
     12.02      0.12      0.00 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  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 48  1  6  0  0  0
  4 10  1  0  0  0  0
  4 11  1  1  0  0  0
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  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 25 22  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
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 28 32  1  1  0  0  0
 29 33  1  0  0  0  0
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 31 35  1  6  0  0  0
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 35 40  1  0  0  0  0
 36 41  2  0  0  0  0
 36 42  1  0  0  0  0
 39 43  1  0  0  0  0
 40 44  2  0  0  0  0
 40 45  1  0  0  0  0
 43 46  2  0  0  0  0
 43 47  1  0  0  0  0