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        "molfile": "\n  Marvin  01132109032D          \n\n 29 33  0  0  1  0            999 V2000\n   17.4704  -10.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1848  -10.5107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   18.8993  -10.9232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   18.8993  -11.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6137  -10.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6137   -9.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8993   -9.2732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   18.8993  -10.0982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1848   -9.6857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   18.1848   -8.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   17.4704   -9.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.4704   -8.4482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   17.4704   -7.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1848   -8.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8993   -8.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1848   -7.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.4704   -6.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7559   -7.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9713   -6.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6358   -6.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8152   -6.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3304   -6.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6659   -7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4864   -7.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9713   -8.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7560   -8.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.4704  -11.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7560  -10.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0415  -10.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  6  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  6  1  0  0  0  0\n  7  8  1  6  0  0  0\n  9  7  1  0  0  0  0\n  2  9  1  0  0  0  0\n  9 10  1  6  0  0  0\n  9 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  6  0  0  0\n 12 14  1  0  0  0  0\n  7 15  1  0  0  0  0\n 15 14  1  0  0  0  0\n 14 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 17  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 23 22  2  0  0  0  0\n 24 23  1  0  0  0  0\n 19 24  2  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n 26 18  2  0  0  0  0\n 12 26  1  0  0  0  0\n  1 27  2  0  0  0  0\n  1 28  1  0  0  0  0\n 28 29  1  0  0  0  0\nM  END",
        "smiles": "COC(=O)[C@H]1[C@@]2([H])C[C@@]3([H])c4c(CCN3C[C@@]2([H])CC[C@@H]1O)c5ccccc5[nH]4",
        "formula": "C21H26N2O3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "354.4435",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "13def2e8-61d7-485e-b8f4-1403c0c78be5",
          "07278e35-40e2-4592-ad99-8b21eb78dedb"
        ],
        "stereo_centers": 5
      },
      "unii": "T4LJ7LU45W"
    }
  ]
}