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        "molfile": "\n  Marvin  01132111292D          \n\n 42  0  0  0  0  0            999 V2000\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    6.0671   -7.8517    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.0045   -7.8830    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8796   -7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9420   -7.7268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\nM  CHG  8   1   2   2   1   4  -1   5   2   6   2   7   2   8   2   9   2\nM  CHG  8  10   2  11   2  12   2  13   2  23  -1  24  -1  25  -1  26  -1\nM  CHG  8  27  -1  28  -1  29  -1  30  -1  31  -1  32  -1  33  -1  34  -1\nM  CHG  8  35  -1  36  -1  37  -1  38  -1  39  -1  40  -1  41  -1  42  -1\nM  STY  3   1 MUL   2 MUL   3 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   4  23  24  25  26  27  28  29  30  31  32  33  34  35  36\nM  SAL   1  6  37  38  39  40  41  42\nM  SPA   1  1   4\nM  SDI   1  4   10.5220   -8.1468   10.5220   -7.3068\nM  SDI   1  4   11.3620   -7.3068   11.3620   -8.1468\nM  SMT   1 21\nM  SCN  1   2 HT \nM  SAL   2 10   3  14  15  16  17  18  19  20  21  22\nM  SPA   2  1   3\nM  SDI   2  4   13.4596   -8.3968   13.4596   -7.5568\nM  SDI   2  4   14.2996   -7.5568   14.2996   -8.3968\nM  SMT   2 10\nM  SCN  1   3 HT \nM  SAL   3 10   1   5   6   7   8   9  10  11  12  13\nM  SPA   3  1   1\nM  SDI   3  4    7.5845   -8.3030    7.5845   -7.4630\nM  SDI   3  4    8.4245   -7.4630    8.4245   -8.3030\nM  SMT   3 10\nM  END",
        "smiles": "[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Na+].O.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]",
        "formula": "10Ca.Na.21HO.10H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "961.0771",
        "optical_activity": "NONE",
        "references": [
          "afc90057-7926-42eb-aa04-715cc575b6f3",
          "dce7aca3-1f57-4f7f-b723-c671bca13c33"
        ],
        "stereo_centers": 0
      },
      "unii": "4RG4VJM6VG"
    }
  ]
}