HMLIN0485
 OpenBabel09292510402D

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  128.0000   96.3500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
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  403.6500  106.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
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  268.8800  125.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
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  318.1600  125.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  343.0300  125.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
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  330.4900  132.7700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
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  372.9000   64.5100    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  403.6500   63.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  387.1900   85.3400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  156.0200   96.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  201.9300  101.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  280.4400  132.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  403.3200  138.6600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
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  439.3100  123.3000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1 32  1  0  0  0  0
  1 33  2  0  0  0  0
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  3  9  1  0  0  0  0
  4 37  1  0  0  0  0
  5  8  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Formula>
C31N7O8S

$$$$
