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      "structure": {
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        "molfile": "\n  Marvin  01132101112D          \n\n 36 34  0  0  1  0            999 V2000\n   -2.3783    1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6114    0.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8445    1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6114   -0.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1608   -6.3255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4464   -5.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7319   -6.3255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4464   -5.0880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1608   -4.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1608   -3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8753   -3.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8753   -2.6130    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.5898   -2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5898   -1.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3043   -2.6130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0187   -2.2005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.0187   -1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7331   -2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7331   -3.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4477   -2.2005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1621   -2.6130    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.1621   -3.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4477   -3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4477   -4.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7332   -5.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8766   -2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8766   -1.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5911   -2.6130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1608   -2.2005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4464   -2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7319   -2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0174   -2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3029   -2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4115   -2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1260   -2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4464   -3.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  4  2  1  0  0  0  0\n  6  5  1  0  0  0  0\n  6  7  2  0  0  0  0\n  8  6  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  6  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 13 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  1  0  0  0\n 16 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 18 20  1  0  0  0  0\n 21 20  1  0  0  0  0\n 21 22  1  6  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 26 21  1  0  0  0  0\n 27 26  2  0  0  0  0\n 26 28  1  0  0  0  0\n 29 12  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 30 36  2  0  0  0  0\nM  END",
        "smiles": "CCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC)C(=O)N.CC(=O)O",
        "formula": "C21H41N7O4.C2H4O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 3,
        "ez_centers": 0,
        "molecular_weight": "515.6476",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "328a83ce-f59c-47e7-92a8-84eed818ab78",
          "70cc0aca-801e-4ed0-945f-88a4c906f51b"
        ],
        "stereo_centers": 3
      },
      "unii": "P8A02Z93M6"
    }
  ]
}