cxypay0360
 OpenBabel09292510482D

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  281.1800  264.5900    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
  295.3600  262.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  302.5600  249.6200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  315.0400  242.4200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  315.0400  228.0200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  302.5600  222.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  328.7300  223.5700    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  333.1800  209.8700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  337.1900  235.2200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  351.5900  235.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  360.0600  246.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  373.7500  242.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  373.7500  228.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  385.3500  219.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  399.2700  223.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  405.1300  236.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  398.5600  249.1400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
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  260.0700  248.3900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
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  234.2000  250.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  211.4100  255.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  221.0500  244.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  216.6000  230.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  202.5100  227.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  273.9800  277.0600    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 54  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
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 13 20  1  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 44  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 43  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 42  2  0  0  0  0
 40 41  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 46 47  1  6  0  0  0
 46 48  1  0  0  0  0
 48 28  1  0  0  0  0
 48 49  1  1  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  2  0  0  0  0
M  CHG  2  52  -1  54  -1
M  END
>  <Formula>
C28N9O13P2S2--

$$$$
