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        "molfile": "\n  Marvin  01132104332D          \n\n 43 43  0  0  1  0            999 V2000\n   -0.2535   -5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2535   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4610   -4.3225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4610   -3.4975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -0.2535   -3.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2535   -2.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4610   -1.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4610   -1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2535   -0.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2535    0.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9679   -1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9679   -1.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1754   -3.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1754   -2.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8899   -3.4975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6043   -3.0850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    3.3188   -3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3188   -4.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0333   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7477   -4.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4621   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1766   -4.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8911   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6055   -4.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3200   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0344   -4.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7489   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4633   -4.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1778   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8923   -4.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6067   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3211   -4.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0356   -4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7501   -4.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0333   -3.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6043   -2.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8899   -1.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8899   -1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1754   -0.6100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1754    0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4610    0.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8899    0.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9679   -4.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  4  5  1  1  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12  6  2  0  0  0  0\n 13  4  1  0  0  0  0\n 14 13  2  0  0  0  0\n 13 15  1  0  0  0  0\n 16 15  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 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  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 25 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 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 17 35  2  0  0  0  0\n 16 36  1  1  0  0  0\n 37 36  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  2  0  0  0  0\n 40 42  1  0  0  0  0\n  2 43  2  0  0  0  0\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCOC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C",
        "formula": "C33H57N5O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "603.8374",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "7259cc44-ecbb-4af2-b249-4bda83716512",
          "d4a2f7c1-18c4-445b-b673-89754a405e67"
        ],
        "stereo_centers": 2
      },
      "unii": "3M7W78X5IR"
    }
  ]
}