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        "molfile": "\n  Marvin  01132102012D          \n\n 29 24  0  0  0  0            999 V2000\n   14.5548   -3.6616    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   14.8536   -4.7768    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   15.6700   -3.3728    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   15.9688   -4.4781    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   15.2619   -2.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2619   -5.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4354   -2.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6700   -1.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0883   -5.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8635   -6.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8480   -4.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6758   -4.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1310   -3.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4241   -4.0697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4241   -4.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3926   -4.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1096   -4.0697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1096   -3.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7071   -5.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8165   -2.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8165   -4.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.5334   -4.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8165   -2.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2404   -4.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7071   -3.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9903   -4.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7071   -6.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2833   -3.6616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0798   -3.8400    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0\n  1 11  1  0  0  0  0\n  2  6  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4 12  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n  6 10  1  0  0  0  0\n 11 13  1  0  0  0  0\n 12 16  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 25  1  0  0  0  0\n 15 19  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 21  1  0  0  0  0\n 18 20  1  0  0  0  0\n 19 27  1  0  0  0  0\n 20 23  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 24  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 28  1  0  0  0  0\nM  CHG  5   1  -1   2  -1   3  -1   4  -1  29   4\nM  END",
        "smiles": "C(CO)N(CCO)CC[O-].C(CO)N(CCO)CC[O-].CC(C)[O-].CC(C)[O-].[Ti+4]",
        "formula": "2C6H14NO3.2C3H7O.Ti",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "462.4022",
        "optical_activity": "NONE",
        "references": [
          "617c8bc0-f2bb-4670-9ad3-9a16f80178f8",
          "1044ab80-02aa-4e44-a25e-9a6b79076d87"
        ],
        "stereo_centers": 0,
        "stereo_comments": "Coordination Compound"
      },
      "unii": "70UF88JLII"
    }
  ]
}