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        "molfile": "\n  Marvin  01132109332D          \n\n 41 43  0  0  1  0            999 V2000\n   14.5274   -3.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7249   -4.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5375   -4.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9501   -3.6747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   16.7752   -3.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1878   -2.9601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0002   -3.1034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   18.2826   -3.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6505   -4.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9326   -5.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3006   -5.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5828   -6.4901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.5307   -2.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3432   -2.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2485   -1.6960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1878   -4.3892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5375   -2.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6811   -2.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6811   -1.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9134   -1.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4180   -2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8926   -2.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1946   -4.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3820   -4.7347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6374   -5.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9778   -4.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3021   -5.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6426   -4.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9667   -5.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3073   -4.5405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.5320   -4.7924    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.0527   -5.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2774   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2774   -4.3848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0527   -4.1330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.5320   -3.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3073   -3.7253    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5736   -3.4734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6180   -5.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0112   -5.4518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5522   -5.8770    0.0000 O   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  6  5  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  6  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n  7 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  2  0  0  0  0\n  5 16  2  0  0  0  0\n  4 17  1  1  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  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 18  2  0  0  0  0\n 23  2  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  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 30 29  1  1  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 34 33  1  0  0  0  0\n 35 34  1  0  0  0  0\n 36 35  1  0  0  0  0\n 37 36  1  0  0  0  0\n 30 37  1  0  0  0  0\n 35 38  1  6  0  0  0\n 31 35  1  0  0  0  0\n 39 33  2  0  0  0  0\n 31 40  1  6  0  0  0\n 41 25  2  0  0  0  0\nM  END",
        "smiles": "C(CCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)O)C[C@H]2[C@]3([H])[C@]([H])(CS2)NC(=O)N3",
        "formula": "C24H38N8O6S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "566.6756",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "c3fa22cc-8fef-49de-b0c3-6127d765b994",
          "65347238-05fb-48ac-833b-fca60a2fb51e"
        ],
        "stereo_centers": 5
      },
      "unii": "O6380721VA"
    }
  ]
}