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    3.7321    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3660   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 35  1  0  0  0  0
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  9 46  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
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 15 58  1  0  0  0  0
 19 59  1  0  0  0  0
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 20 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
M  CHG  2  26  -1  27  -1
M  END
> <UNIQUE_SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(O)CO[P]([O-])([O-])=O

> <USER_SUPPLIED_SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])[O-]

$$$$
