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        "molfile": "\n  Marvin  01132107572D          \n\n 28 31  0  0  1  0            999 V2000\n    8.5804   -5.3928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8624   -5.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.8624   -6.6306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    7.1424   -7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4296   -6.6178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.4296   -5.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1433   -5.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1433   -4.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7052   -4.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9879   -4.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2796   -4.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2796   -5.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9902   -5.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7052   -5.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8653   -4.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5804   -4.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7412   -7.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0589   -6.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3719   -7.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7412   -7.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7412   -6.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5711   -7.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2929   -6.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2929   -5.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8624   -7.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5323   -7.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8624   -5.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8368   -5.2918    0.0000 Cl  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  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  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  9 14  1  0  0  0  0\n 14  6  1  0  0  0  0\n  8 15  1  0  0  0  0\n 16 15  1  0  0  0  0\n  1 16  1  0  0  0  0\n  2  7  1  0  0  0  0\n  5 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 17 20  2  0  0  0  0\n  5 21  1  1  0  0  0\n  3 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n  1 24  1  0  0  0  0\n  3 25  1  6  0  0  0\n 25 26  1  0  0  0  0\n  2 27  1  6  0  0  0\nM  END",
        "smiles": "CC[C@@]12CCCN3CCc4c5ccccc5n(c4[C@]13[H])[C@](C2)(C(=O)OC)O.Cl",
        "formula": "C21H26N2O3.ClH",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 3,
        "ez_centers": 0,
        "molecular_weight": "390.9044",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "27b11198-ec57-48d1-a9fb-2abc7454d2f2",
          "e7949109-bba7-4b6e-9c74-74d59d495851"
        ],
        "stereo_centers": 3
      },
      "unii": "X9XM85R7QQ"
    }
  ]
}