TJL0513
 OpenBabel09292510192D

 67 70  0  0  1  0  0  0  0  0999 V2000
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  345.7500  119.0900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
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  310.6300  186.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  335.5700  172.4700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
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 53 66  1  0  0  0  0
 54 57  2  0  0  0  0
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 59 62  1  0  0  0  0
 60 63  1  0  0  0  0
 60 66  2  0  0  0  0
 61 63  2  0  0  0  0
M  CHG  1  66   1
M  END
>  <Formula>
C45IN10O11+

$$$$
