TJL0095
 OpenBabel09292510182D

 61 64  0  0  1  0  0  0  0  0999 V2000
  324.1300   98.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  348.1400   90.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  361.6500   93.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  338.2200  101.2800    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  343.2500  114.7200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  366.6700  106.5600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  357.2700  117.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  380.8100  109.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  493.5500  131.3000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  399.6700  127.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  479.3100  133.0900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  378.2100  134.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  399.9000  141.8400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  424.6100  144.5200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  448.5300  145.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  473.7500  146.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  386.1600  145.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  436.1900  153.0000    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  485.5400  153.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  472.3200  218.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  497.4100  218.4000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  497.4100  232.7500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
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  571.8900  232.7800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
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  319.4400   85.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  314.7300  109.4000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  411.2200  118.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  385.7300  122.5200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  443.4400  132.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  411.4800  150.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  433.1600  167.0300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
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  460.5200  167.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  462.2700  195.9400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
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  235.1000  108.4000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 42  2  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 45  1  0  0  0  0
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 10 45  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
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 12 48  2  0  0  0  0
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 13 50  1  0  0  0  0
 14 50  1  0  0  0  0
 15 18  1  0  0  0  0
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 18 14  1  6  0  0  0
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 20 21  1  0  0  0  0
 21 24  1  0  0  0  0
 22 27  1  0  0  0  0
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 23 21  1  6  0  0  0
 25 55  1  0  0  0  0
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 26 28  1  0  0  0  0
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 28 29  1  0  0  0  0
 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  6  0  0  0
 31 55  1  0  0  0  0
 33 34  2  0  0  0  0
 34 39  1  0  0  0  0
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 35 59  1  0  0  0  0
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 40 41  1  0  0  0  0
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 43 61  1  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Formula>
C42N7O9S3

$$$$
