TJL0516
 OpenBabel09292510192D

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  9  3  1  0  0  0  0
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 11 23  1  0  0  0  0
 11 29  2  0  0  0  0
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 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  2  0  0  0  0
 33 34  1  0  0  0  0
 33 12  1  0  0  0  0
 34 35  1  0  0  0  0
 34 37  2  0  0  0  0
 35 36  1  0  0  0  0
 36 38  1  0  0  0  0
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 38 43  2  0  0  0  0
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 42 45  1  0  0  0  0
 48 51  1  0  0  0  0
 48 53  2  0  0  0  0
 49 51  1  0  0  0  0
 49 67  1  0  0  0  0
 50 52  2  0  0  0  0
 50 64  1  0  0  0  0
 50 67  1  0  0  0  0
 51 55  2  0  0  0  0
 52 57  1  0  0  0  0
 52 66  1  0  0  0  0
 53 54  1  0  0  0  0
 54 58  2  0  0  0  0
 54 28  1  0  0  0  0
 55 58  1  0  0  0  0
 56 67  2  0  0  0  0
 56 69  1  0  0  0  0
 57 69  2  0  0  0  0
 57 70  1  0  0  0  0
 59 60  1  0  0  0  0
 59 70  1  1  0  0  0
 59 72  1  0  0  0  0
 60 62  1  0  0  0  0
 60 71  1  1  0  0  0
 61 62  1  0  0  0  0
 61 63  1  6  0  0  0
 61 72  1  0  0  0  0
 62 74  1  1  0  0  0
 63 73  1  0  0  0  0
 65 66  2  0  0  0  0
 66 68  1  0  0  0  0
M  CHG  3  66   1  67   1  68  -1
M  END
>  <Formula>
C45N13O16+

$$$$
