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0\n 72 73  2  0  0  0  0\n 72 74  1  0  0  0  0\n 74 75  1  0  0  0  0\n 77 76  1  0  0  0  0\n 78 79  1  0  0  0  0\n 78 80  2  0  0  0  0\n 81 82  1  0  0  0  0\n 81 83  2  0  0  0  0\n 84 85  1  0  0  0  0\n 84 86  2  0  0  0  0\nM  END",
          "smiles": "c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=N[C@@H](CCC(=N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(c(=O)[nH]c(N)n3)n2",
          "formula": "C49H61N13O24",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "29e4c432-42d9-48de-85cf-daeed6cf497c"
          },
          "defined_stereo": 7,
          "ez_centers": 0,
          "molecular_weight": "1216.0833",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 7
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "9cf48d6b-6bd9-4777-83c7-96af147857e7",
      "version": "10",
      "structure": {
        "id": "52741b13-6f8d-48ab-9e12-9eb5ad9b4b58",
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59.7367  -27.2242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   60.4512  -26.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   61.1657  -27.2242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  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  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 11 16  1  0  0  0  0\n 14 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 17 19  1  0  0  0  0\n 20 19  1  6  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  2  0  0  0  0\n 23 25  1  0  0  0  0\n 26 25  1  1  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  2  0  0  0  0\n 29 31  1  0  0  0  0\n 32 31  1  6  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 35 36  2  0  0  0  0\n 35 37  1  0  0  0  0\n 38 37  1  1  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  2  0  0  0  0\n 41 43  1  0  0  0  0\n 44 43  1  6  0  0  0\n 44 45  1  0  0  0  0\n 45 46  1  0  0  0  0\n 46 47  1  0  0  0  0\n 47 48  2  0  0  0  0\n 47 49  1  0  0  0  0\n 50 49  1  1  0  0  0\n 50 51  1  0  0  0  0\n 51 52  1  0  0  0  0\n 52 53  1  0  0  0  0\n 53 54  2  0  0  0  0\n 53 55  1  0  0  0  0\n 56 55  1  6  0  0  0\n 56 57  1  0  0  0  0\n 57 58  1  0  0  0  0\n 58 59  1  0  0  0  0\n 59 60  1  0  0  0  0\n 59 61  2  0  0  0  0\n 56 62  1  0  0  0  0\n 62 63  1  0  0  0  0\n 62 64  2  0  0  0  0\n 50 65  1  0  0  0  0\n 65 66  1  0  0  0  0\n 65 67  2  0  0  0  0\n 44 68  1  0  0  0  0\n 68 69  1  0  0  0  0\n 68 70  2  0  0  0  0\n 38 71  1  0  0  0  0\n 71 72  1  0  0  0  0\n 71 73  2  0  0  0  0\n 32 74  1  0  0  0  0\n 74 75  1  0  0  0  0\n 74 76  2  0  0  0  0\n 26 77  1  0  0  0  0\n 77 78  1  0  0  0  0\n 77 79  2  0  0  0  0\n 20 80  1  0  0  0  0\n 80 81  1  0  0  0  0\n 80 82  2  0  0  0  0\n  8 83  2  0  0  0  0\n 83 84  1  0  0  0  0\n 84 85  2  0  0  0  0\n  6 85  1  0  0  0  0\n 85 86  1  0  0  0  0\n  2 86  2  0  0  0  0\nM  END",
        "smiles": "c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(c(=O)[nH]c(N)n3)n2",
        "formula": "C49H61N13O24",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 7,
        "ez_centers": 0,
        "molecular_weight": "1216.0833",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "4afa41ee-7a35-482b-8224-0803daf79cb0",
          "38f33834-5b8b-4d96-b38c-6a44f1317153"
        ],
        "stereo_centers": 7
      },
      "unii": "3ULW2C76OT"
    }
  ]
}