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        "molfile": "\n  Marvin  01132106422D          \n\n 36 36  0  0  1  0            999 V2000\n   11.6653  -10.4348    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   14.2148  -13.1328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.8087  -10.0223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.6653  -11.2598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3798  -11.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3798  -12.4972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0942  -11.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7261  -11.7901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5829  -12.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8076  -12.8847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9900  -12.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6221  -13.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3973  -13.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4788  -14.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0717  -13.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7036  -14.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5603  -15.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1923  -15.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0490  -16.6306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3798  -10.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3798   -9.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0942  -10.4348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8087   -9.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0942   -8.7848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5230   -8.7848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5230  -10.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2375  -10.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9519  -10.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6664  -10.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3808  -10.4348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9508  -10.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2364  -10.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4828  -10.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9308  -10.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3432  -11.4268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1501  -11.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  1  1  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  9  2  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  2 11  1  1  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 12 14  1  0  0  0  0\n  2 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n  1 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 22  3  1  0  0  0  0\n 20 22  1  0  0  0  0\n  3 23  1  6  0  0  0\n 23 24  2  0  0  0  0\n 23 25  1  0  0  0  0\n  3 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n  1 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 35 34  2  0  0  0  0\n 36 35  1  0  0  0  0\n 32 36  2  0  0  0  0\nM  END",
        "smiles": "CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N",
        "formula": "C22H39N9O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 3,
        "ez_centers": 0,
        "molecular_weight": "509.6032",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "70b12443-2eb4-4096-a11e-3269c4bd99bd",
          "6307b416-5d34-4f61-87b8-41e35bfeeb32"
        ],
        "stereo_centers": 3
      },
      "unii": "D1HW9N9QBX"
    }
  ]
}