
  -molcms-06132622362D

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    4.5878    2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5823    2.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3254    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3254    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1915    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0575    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0575    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1915    2.0000    0.0000 C   0  0  0  0  0  4  0  0  0  0  0  0
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    8.5659    3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9836    4.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3903    2.0646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3848    2.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5927    3.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4588    3.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1908    4.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0568    5.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9229    4.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9229    3.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7889    5.1473    0.0000 O   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
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  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
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  9 10  2  0  0  0  0
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M  CHG  8   1   5   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1  13   3
M  CHG  3  25  -1  37  -1  50  -1
M  END
