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          "atropisomerism": "No",
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        "molfile": "\n  Marvin  01132104042D          \n\n 25 22  0  0  0  0            999 V2000\n    4.6416   -3.5023    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0\n    7.4187   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4187   -3.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1186   -2.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1186   -1.9514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8231   -3.1638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8231   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1186   -4.3762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5552   -4.3762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6866   -4.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9820   -3.9827    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.6866   -5.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6614   -3.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6614   -3.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4187   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4187   -3.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1186   -2.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1186   -1.9514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8231   -3.1638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8231   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1186   -4.3762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5552   -4.3762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6866   -4.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9820   -3.9827    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.6866   -5.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  4  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  7  2  0  0  0  0\n 10  2  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 10  2  0  0  0  0\n 16 15  2  0  0  0  0\n 21 15  1  0  0  0  0\n 23 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  2  0  0  0  0\n 19 17  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 22 20  2  0  0  0  0\n 24 23  1  0  0  0  0\n 25 23  2  0  0  0  0\nM  CHG  3   1   2  11  -1  24  -1\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  13  14\nM  SPA   1  1  13\nM  SDI   1  4   12.2414   -3.6454   12.2414   -2.8054\nM  SDI   1  4   13.0814   -2.8054   13.0814   -3.6454\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2 15   2   3   4   5   6   7   8   9  10  11  12  15  16  17  18\nM  SAL   2  7  19  20  21  22  23  24  25\nM  SPA   2 11   2   3   4   5   6   7   8   9  10  11  12\nM  SDI   2  4    5.5620   -5.6334    5.5620   -1.5314\nM  SDI   2  4    9.9752   -1.5314    9.9752   -5.6334\nM  SMT   2 2\nM  END",
        "smiles": "c1c(C(=O)[O-])[nH]c(=O)[nH]c1=O.c1c(C(=O)[O-])[nH]c(=O)[nH]c1=O.[Mg+2].O.O",
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        "atropisomerism": "No",
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        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
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}