cxypay0370
 OpenBabel09292510482D

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  371.2500  177.9300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  325.4300  184.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  371.2500  192.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  344.7700  196.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  271.9000  198.0400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  359.2800  200.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  285.6400  201.5600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  308.1700  201.8900    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  333.8900  205.7400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  231.3500  210.0200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  245.0900  210.0200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  289.8200  214.8600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  303.9900  215.3000    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
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  249.3800  223.7600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
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  1 28  1  0  0  0  0
  1 30  2  0  0  0  0
  2  5  1  0  0  0  0
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  2 28  2  0  0  0  0
  3  6  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  4 37  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 33  1  0  0  0  0
 10  8  1  6  0  0  0
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 13 35  1  1  0  0  0
 14 19  1  0  0  0  0
 14 36  1  1  0  0  0
 15 16  1  0  0  0  0
 15 40  1  1  0  0  0
 16 41  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  2  0  0  0  0
 18 38  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
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 22 38  1  0  0  0  0
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 23 47  2  0  0  0  0
 23 48  1  0  0  0  0
 24 46  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 29 32  2  0  0  0  0
 31 32  1  0  0  0  0
 32 35  1  0  0  0  0
 32 33  1  0  0  0  0
 37 11  1  0  0  0  0
 40 44  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  CHG  1  31  -1
M  END
>  <Formula>
C26N8O11P2S2-

$$$$
