SCPAY0095
 OpenBabel09292510482D

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  579.8200  205.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  555.7100  208.0200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  581.2400  219.5800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  557.1300  222.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  619.1100  222.7500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  570.0000  227.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  595.9700  239.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  571.4200  242.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  633.1800  242.2800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
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  544.4700  267.5900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  479.6500  279.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  500.8200  292.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  543.8100  292.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  7  2  0  0  0  0
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  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
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 19 25  1  0  0  0  0
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 30 35  2  0  0  0  0
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M  END
>  <Formula>
C26N3O6S

$$$$
