HMLIN0498
 OpenBabel09292510402D

 53 55  0  0  1  0  0  0  0  0999 V2000
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  102.0100  108.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  144.1900  110.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  426.1400  112.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
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  388.5700  162.9800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  413.7600  162.6500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  395.0300   70.4200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  425.4800   69.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  409.3800   90.6800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  108.8000   95.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   87.1200  109.6300    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
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  389.4400  127.7100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  145.7200  125.4100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  216.8100  132.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  290.9700  132.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  365.1200  132.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  328.1000  143.1500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  254.1600  139.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  425.8100  144.7900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  453.6300  152.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  376.9500  153.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  461.2300  128.9100    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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  2  5  1  0  0  0  0
  2 35  2  0  0  0  0
  3  7  1  0  0  0  0
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  4 35  1  0  0  0  0
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  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
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 13 44  1  0  0  0  0
 15 24  1  0  0  0  0
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 18 40  2  0  0  0  0
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 25 46  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 20  1  1  0  0  0
 28 29  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 38 39  2  0  0  0  0
 39 45  1  0  0  0  0
M  END
>  <Formula>
C31N11O10S

$$$$
