TJL0497
 OpenBabel09292510192D

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  506.9200   94.1200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
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  329.6900  103.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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 10 19  1  0  0  0  0
 10 32  1  0  0  0  0
 11 19  1  0  0  0  0
 11 26  2  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  6  0  0  0
 12 33  1  0  0  0  0
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 13 20  1  0  0  0  0
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 20 21  1  1  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 37  1  0  0  0  0
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 24 39  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
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 44 47  2  0  0  0  0
 45 46  1  0  0  0  0
 45 58  1  0  0  0  0
 46 52  2  0  0  0  0
 47 51  1  0  0  0  0
 48 50  1  0  0  0  0
 48 53  2  0  0  0  0
 49 53  1  0  0  0  0
 50 55  2  0  0  0  0
 50 58  1  0  0  0  0
 51 54  2  0  0  0  0
 51 34  1  0  0  0  0
 52 54  1  0  0  0  0
 53 56  1  0  0  0  0
 55 57  1  0  0  0  0
 55 59  1  0  0  0  0
 56 57  2  0  0  0  0
 57 60  1  0  0  0  0
M  CHG  1  58   1
M  END
>  <Formula>
C41IN8O10+

$$$$
