TJL0552
 OpenBabel09292510192D

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  403.9200  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  453.8100  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  478.6500  159.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  503.6000  159.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  540.1000  123.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  353.9100  159.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  428.5400  159.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  587.6600  118.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  587.6600  103.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  600.1300   96.5600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  613.5000  164.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  601.0300  171.2000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  601.0300  185.6000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  613.5000  192.8000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  625.9700  185.6000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  625.9700  171.2000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  638.4400  164.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
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  4 18  1  0  0  0  0
  5 11  1  0  0  0  0
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  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  7 17  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  2  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 28  1  0  0  0  0
 26 20  1  0  0  0  0
 28 29  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 27  1  1  0  0  0
 32 33  1  0  0  0  0
 32 38  1  6  0  0  0
 33 34  1  0  0  0  0
 33 37  1  1  0  0  0
 34 35  1  0  0  0  0
 34 39  1  6  0  0  0
 35 30  1  0  0  0  0
 35 36  1  1  0  0  0
 36 40  1  0  0  0  0
 36 41  2  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 49  2  0  0  0  0
 47 48  1  0  0  0  0
 48 29  2  0  0  0  0
 48 53  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 47  2  0  0  0  0
 53 54  1  0  0  0  0
 53 55  2  0  0  0  0
M  CHG  1  29   1
M  END
>  <Formula>
C37N3O15+

$$$$
