YLPLIN0166
 OpenBabel09292510412D

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  646.7200  135.4900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  660.7800  133.8300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  641.0500  148.8800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  669.2900  145.5600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  649.6400  160.3700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  663.7100  158.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  698.8200  160.1100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  713.1800  161.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  690.5800  172.1500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
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  718.8500  174.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  666.6800  183.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  477.1600  186.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  652.9200  186.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  696.5700  185.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  710.8600  186.5100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
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  464.7300  208.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  514.4400  208.0400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  539.2900  208.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  564.1500  208.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
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  464.7300  164.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  672.3200  170.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  642.2800  176.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  452.3000  186.5100    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  502.0100  186.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  526.8700  200.8600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
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  452.3000  200.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  667.5200  220.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  464.7300  222.3900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  539.2900  222.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  501.9700  229.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  501.9700  243.9900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  489.5000  222.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
  9 15  1  0  0  0  0
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 19 35  2  0  0  0  0
 19 41  1  0  0  0  0
 20 26  1  0  0  0  0
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 23 43  2  0  0  0  0
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 28 39  1  0  0  0  0
 29 40  1  0  0  0  0
 30 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
M  END
>  <Formula>
C31N3O12S2

$$$$
