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0  0  0  0  0  0\n   -0.7891   -4.6054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5031   -5.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2171   -4.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9311   -5.0271    0.0000 N   0  3  0  0  0  0  0  0  0  3  0  0\n   -3.6535   -4.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3486   -5.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5219   -5.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7808   -5.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4947   -4.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4947   -3.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2087   -5.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9227   -4.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6367   -5.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3506   -4.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0646   -4.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7786   -4.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4926   -4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2065   -4.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9205   -4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6345   -4.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3485   -4.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0624   -4.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7764   -4.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4904   -4.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2044   -4.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9184   -4.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6323   -4.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1 23  1  0  0  0  0\n  1 35  1  1  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  4  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 25  2  0  0  0  0\n 28 25  1  0  0  0  0\n 29 28  1  0  0  0  0\n 30 29  1  0  0  0  0\n 31 30  1  0  0  0  0\n 32 31  1  0  0  0  0\n 33 31  1  0  0  0  0\n 34 31  1  0  0  0  0\n 36 35  1  0  0  0  0\n 37 36  2  0  0  0  0\n 38 36  1  0  0  0  0\n 39 38  1  0  0  0  0\n 40 39  1  0  0  0  0\n 41 40  1  0  0  0  0\n 42 41  1  0  0  0  0\n 43 42  1  0  0  0  0\n 44 43  1  0  0  0  0\n 45 44  1  0  0  0  0\n 46 45  1  0  0  0  0\n 47 46  1  0  0  0  0\n 48 47  1  0  0  0  0\n 49 48  1  0  0  0  0\n 50 49  1  0  0  0  0\n 51 50  1  0  0  0  0\n 52 51  1  0  0  0  0\n 53 52  1  0  0  0  0\n 54 53  1  0  0  0  0\nM  CHG  2  26  -1  31   1\nM  END",
          "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC",
          "formula": "C44H88NO8P",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "EPIMERIC",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "8ddb2c1a-d61c-444f-8b74-addce7db3fbb"
          },
          "defined_stereo": 1,
          "ez_centers": 0,
          "molecular_weight": "790.1469",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 1
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "9f069741-c6bc-48c8-9956-b235af12366c",
      "version": "15",
      "structure": {
        "id": "c7e8a4a9-808f-46f8-8d79-8845ce4be082",
        "molfile": "\n  Marvin  01132110202D          \n\n 54 53  0  0  1  0            999 V2000\n    9.1986   -5.1704    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7810   -5.8844    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.9125   -4.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7685   -4.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6078   -5.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0460   -2.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3426   -5.1829    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   12.0545   -5.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4846   -4.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6264   -5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7685   -3.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3321   -2.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0545   -3.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3405   -4.7570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.7706   -5.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3405   -3.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0566   -4.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6203   -4.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9250   -5.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7517   -5.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4823   -5.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7643   -2.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4781   -2.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1964   -4.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.1921   -4.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.4739   -2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.7599   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.4781   -5.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7662   -5.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4802   -4.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1942   -5.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.9082   -4.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1921   -2.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9061   -2.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6201   -2.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3341   -2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0482   -2.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7620   -2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4760   -2.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1900   -2.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.9040   -2.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.6180   -2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.3319   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.0459   -2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.6222   -5.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.3361   -4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.0501   -5.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.7641   -4.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9103   -5.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6243   -4.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3384   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0523   -4.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.1879   -2.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.9059   -5.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  8  1  0  0  0  0\n  5  1  2  0  0  0  0\n  6 13  1  0  0  0  0\n  7 17  1  0  0  0  0\n  8 14  1  0  0  0  0\n  9  1  1  0  0  0  0\n 10  3  1  0  0  0  0\n 11  4  2  0  0  0  0\n 12  6  2  0  0  0  0\n 13 16  1  0  0  0  0\n 14 10  1  0  0  0  0\n 15  9  1  0  0  0  0\n 14 16  1  1  0  0  0\n 17 15  1  0  0  0  0\n 18  7  1  0  0  0  0\n 19  7  1  0  0  0  0\n 20  7  1  0  0  0  0\n 21  4  1  0  0  0  0\n 22  6  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 21  1  0  0  0  0\n 25 28  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 44  1  0  0  0  0\n 28 48  1  0  0  0  0\n 29 52  1  0  0  0  0\n 30 29  1  0  0  0  0\n 31 30  1  0  0  0  0\n 32 31  1  0  0  0  0\n 33 23  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 38 37  1  0  0  0  0\n 39 38  1  0  0  0  0\n 40 39  1  0  0  0  0\n 41 40  1  0  0  0  0\n 42 41  1  0  0  0  0\n 43 42  1  0  0  0  0\n 44 43  1  0  0  0  0\n 45 32  1  0  0  0  0\n 46 45  1  0  0  0  0\n 47 46  1  0  0  0  0\n 48 47  1  0  0  0  0\n 49 24  1  0  0  0  0\n 50 49  1  0  0  0  0\n 51 50  1  0  0  0  0\n 52 51  1  0  0  0  0\n 53 26  1  0  0  0  0\n 54 25  1  0  0  0  0\nM  CHG  2   2  -1   7   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC",
        "formula": "C44H88NO8P",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 0,
        "molecular_weight": "790.1469",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "9bc0b4ba-4ea8-4d42-baa0-989378f65a46",
          "d332b80f-8605-48ba-a3e8-adaf564ca0fc"
        ],
        "stereo_centers": 1
      },
      "unii": "043IPI2M0K"
    }
  ]
}