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        "molfile": "\n  Marvin  01132109092D          \n\n 32 32  0  0  1  0            999 V2000\n   18.2385   -4.0469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6859   -4.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8793   -4.4906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6208   -3.7029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   15.8143   -3.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5603   -2.7468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7680   -2.4895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   14.7680   -1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5603   -1.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0424   -2.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1026   -2.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3475   -2.6425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6776   -3.1251    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.7626   -3.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5174   -4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6071   -5.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3574   -5.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4471   -6.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7771   -6.7515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2022   -6.6024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9252   -2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2569   -3.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8335   -1.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1876   -3.7957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2618   -4.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1735   -3.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9844   -3.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.5370   -2.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2829   -1.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3480   -2.8230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9445   -5.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7512   -5.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  6  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 10  6  1  0  0  0  0\n  7 11  1  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  1  0  0  0\n 14 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  2  0  0  0  0\n 18 20  1  0  0  0  0\n 13 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 23  2  0  0  0  0\n 11 24  2  0  0  0  0\n  5 25  2  0  0  0  0\n  4 26  1  6  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  2  0  0  0  0\n 28 30  1  0  0  0  0\n 31  2  1  0  0  0  0\n 32 31  1  0  0  0  0\nM  END",
        "smiles": "C(C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)CN)CNC(=N)N",
        "formula": "C18H32N8O6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 3,
        "ez_centers": 0,
        "molecular_weight": "456.4974",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "b15dd225-2b48-4a9f-9f83-baefae3eff82",
          "858d007a-17b8-4fd9-bf54-92f6a785d9aa"
        ],
        "stereo_centers": 3
      },
      "unii": "X519T00027"
    }
  ]
}