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0  0  0\n  3  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  7  9  2  0  0  0  0\n  7 10  2  0  0  0  0\n  7 11  1  0  0  0  0\n  8 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 28 29  1  0  0  0  0\n 28 30  1  0  0  0  0\n 29 31  1  0  0  0  0\n 30 32  1  0  0  0  0\n 31 33  1  0  0  0  0\n 32 34  1  0  0  0  0\n 33 35  1  0  0  0  0\n 34 36  2  0  0  0  0\n 34 37  2  0  0  0  0\n 34 38  1  0  0  0  0\n 35 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 43 44  1  0  0  0  0\n 44 45  1  0  0  0  0\n 45 46  1  0  0  0  0\n 46 47  1  0  0  0  0\n 47 48  1  0  0  0  0\n 48 49  1  0  0  0  0\n 49 50  1  0  0  0  0\n 50 51  1  0  0  0  0\n 51 52  1  0  0  0  0\n 52 53  1  0  0  0  0\nM  CHG  3  11  -1  27   2  38  -1\nM  STY  1   1 MUL\nM  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15\nM  SAL   1 15  16  17  18  19  20  21  22  23  24  25  26  28  29  30  31\nM  SAL   1 15  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46\nM  SAL   1  7  47  48  49  50  51  52  53\nM  SPA   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15\nM  SPA   1 11  16  17  18  19  20  21  22  23  24  25  26\nM  SDI   1  4    7.4568   -4.7350    7.4568   -2.4777\nM  SDI   1  4   23.0693   -2.4777   23.0693   -4.7350\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Mg+2]",
        "formula": "2C18H37O7S.Mg",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "819.403",
        "optical_activity": "NONE",
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