TJL0529
 OpenBabel09292510192D

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  584.4000  169.5400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
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  584.4000  183.9000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
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  583.9800   91.4600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2 16  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 29  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5 22  1  0  0  0  0
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  6 20  1  0  0  0  0
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  8 14  1  0  0  0  0
  8 21  1  0  0  0  0
  9 15  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  1  0  0  0  0
 10 17  2  0  0  0  0
 10 22  1  0  0  0  0
 11 18  1  0  0  0  0
 11 23  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 40  1  0  0  0  0
 29 39  2  0  0  0  0
 30 32  1  0  0  0  0
 30 40  1  0  0  0  0
 31 32  2  0  0  0  0
 32 42  1  0  0  0  0
 33 41  2  0  0  0  0
 33 44  1  0  0  0  0
 34 36  1  0  0  0  0
 34 42  1  1  0  0  0
 34 43  1  0  0  0  0
 35 37  1  0  0  0  0
 35 43  1  0  0  0  0
 35 33  1  1  0  0  0
 36 38  1  0  0  0  0
 36 45  1  6  0  0  0
 37 38  1  0  0  0  0
 37 46  1  6  0  0  0
 38 47  1  1  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 57  1  0  0  0  0
 50 52  2  0  0  0  0
 50 58  1  0  0  0  0
 51 53  2  0  0  0  0
 51 59  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
 53 60  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 60  2  0  0  0  0
M  CHG  1  60   1
M  END
>  <Formula>
C39IN5O15+

$$$$
