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0  0  0\n    1.0543   -2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0031   -2.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5586   -3.6131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   -1.7410   -3.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6783   -0.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7182   -2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1541   -2.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3194   -4.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3821   -4.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0256   -0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1685   -3.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2166   -2.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7608   -4.4194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2971   -2.1912    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2117   -2.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2971   -1.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2971   -3.1201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3653   -2.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 26 25  2  0  0  0  0\n 27 25  1  0  0  0  0\n 28 25  1  0  0  0  0\n 29 25  1  0  0  0  0\n 15  4  1  0  0  0  0\n 16 12  1  0  0  0  0\n 17  8  2  0  0  0  0\n 18 17  1  0  0  0  0\n 14 19  1  6  0  0  0\n 20 15  1  0  0  0  0\n 21 11  1  0  0  0  0\n 22 20  1  0  0  0  0\n  3 23  1  1  0  0  0\n  6  4  1  0  0  0  0\n 16 11  1  0  0  0  0\n 13  9  2  0  0  0  0\n 10  8  1  0  0  0  0\n 18 15  2  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  2  2  0  0  0  0\n  5 24  1  1  0  0  0\n  5  1  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  3  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  3  1  0  0  0  0\n 10  7  1  0  0  0  0\n  7 11  1  1  0  0  0\n  1 12  1  1  0  0  0\n 13 14  1  0  0  0  0\n 14  5  1  0  0  0  0\n 56 55  2  0  0  0  0\n 57 55  1  0  0  0  0\n 58 55  1  0  0  0  0\n 59 55  1  0  0  0  0\n 32 31  1  0  0  0  0\n 33 31  1  0  0  0  0\n 35 31  1  0  0  0  0\n 31 42  1  1  0  0  0\n 34 32  2  0  0  0  0\n 38 32  1  0  0  0  0\n 33 53  1  1  0  0  0\n 37 33  1  0  0  0  0\n 39 33  1  0  0  0  0\n 45 34  1  0  0  0  0\n 36 34  1  0  0  0  0\n 35 54  1  1  0  0  0\n 35 36  1  0  0  0  0\n 44 35  1  0  0  0  0\n 40 37  1  0  0  0  0\n 37 41  1  1  0  0  0\n 47 38  2  0  0  0  0\n 40 38  1  0  0  0  0\n 43 39  2  0  0  0  0\n 51 41  1  0  0  0  0\n 46 41  1  0  0  0  0\n 46 42  1  0  0  0  0\n 43 44  1  0  0  0  0\n 44 49  1  6  0  0  0\n 50 45  1  0  0  0  0\n 48 45  2  0  0  0  0\n 48 47  1  0  0  0  0\n 52 50  1  0  0  0  0\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1 10  25  26  27  28  29  55  56  57  58  59\nM  SPA   1  5  25  26  27  28  29\nM  SDI   1  4    3.9453   -3.5401    3.9453   -0.8480\nM  SDI   1  4    6.6317   -0.8480    6.6317   -3.5401\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15\nM  SAL   2 15  16  17  18  19  20  21  22  23  24  31  32  33  34  35  36\nM  SAL   2 15  37  38  39  40  41  42  43  44  45  46  47  48  49  50  51\nM  SAL   2  3  52  53  54\nM  SPA   2 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15\nM  SPA   2  9  16  17  18  19  20  21  22  23  24\nM  SDI   2  4   -3.5885   -4.8394   -3.5885    0.2975\nM  SDI   2  4    2.7394    0.2975    2.7394   -4.8394\nM  SMT   2 2\nM  END",
        "formula": "2C18H21NO3.H2O.2H3O4P",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 10,
        "ez_centers": 0,
        "molecular_weight": "812.7355",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "b1a80270-0831-466d-b2a8-67cddaea7a56",
          "b4c0e071-9df2-4f8b-9c28-b1269dc0575a"
        ],
        "stereo_centers": 10
      },
      "unii": "GSL05Y1MN6"
    }
  ]
}