化学加——结构式展示

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化学加
作者：黄炜
 邮箱：hwstu@sohu.com  
 31 41  0  0  0  0  0  0  0  0999 V2000
      0.91      1.81      0.00 Fe  0  0  0  0  0 10  0  0  0  0  0  0
      1.79      3.35      0.00 C   0  0  0  0  0  5  0  0  0  0  0  0
      1.16      3.03      0.00 C   0  0  0  0  0  5  0  0  0  0  0  0
      1.16      3.66      0.00 C   0  0  0  0  0  5  0  0  0  0  0  0
      0.14      3.14      0.00 C   0  0  0  0  0  4  0  0  0  0  0  0
      0.14      3.53      0.00 C   0  0  0  0  0  5  0  0  0  0  0  0
      0.65      0.61      0.00 C   0  0  0  0  0  5  0  0  0  0  0  0
      1.64      0.47      0.00 C   0  0  0  0  0  5  0  0  0  0  0  0
      0.00      0.31      0.00 C   0  0  0  0  0  4  0  0  0  0  0  0
      1.60      0.10      0.00 C   0  0  0  0  0  5  0  0  0  0  0  0
      0.59      0.00      0.00 C   0  0  0  0  0  5  0  0  0  0  0  0
      2.51      3.39      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      3.03      3.88      0.00 N   0  0  0  0  0  0  0  0  0  0  0  0
      2.70      2.85      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      2.89      4.40      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      3.60      3.84      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      2.40      2.52      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      3.13      2.76      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      3.32      4.79      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      4.08      4.29      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      2.54      2.10      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      3.27      2.34      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      3.95      4.80      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      2.97      2.01      0.00 C   0  0  0  0  0  0  0  0  0  0  0  0
      5.79      4.65      0.00 P   0  0  0  0  0  6  0  0  0  0  0  0
      5.54      4.51      0.00 F   0  0  0  0  0  1  0  0  0  0  0  0
      6.35      4.59      0.00 F   0  0  0  0  0  1  0  0  0  0  0  0
      5.24      4.72      0.00 F   0  0  0  0  0  1  0  0  0  0  0  0
      6.06      4.79      0.00 F   0  0  0  0  0  1  0  0  0  0  0  0
      5.79      5.25      0.00 F   0  0  0  0  0  1  0  0  0  0  0  0
      5.79      4.05      0.00 F   0  0  0  0  0  1  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
  1  6  1  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  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  3  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 24  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 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  CHG 11   1   2   5  -1   9  -1  13   1  25   5  26  -1  27  -1  28  -1  29  -1  30  -1  31  -1