TJL0550
 OpenBabel09292510192D

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  3  9  1  0  0  0  0
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 33 37  1  1  0  0  0
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 34 39  1  6  0  0  0
 35 30  1  0  0  0  0
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 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 54 65  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 56 51  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 58 61  1  0  0  0  0
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 60 56  1  0  0  0  0
 60 67  2  0  0  0  0
 61 62  2  0  0  0  0
 62 63  1  0  0  0  0
 63 64  2  0  0  0  0
 64 59  1  0  0  0  0
 65 66  1  0  0  0  0
M  CHG  1  29   1
M  END
>  <Formula>
C47N4O15S+

$$$$
