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        "molfile": "\n  Marvin  01132110512D          \n\n 35 37  0  0  1  0            999 V2000\n    5.8419   -3.2791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.7599   -2.3809    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.0970   -1.7252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    4.3199   -1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    5.2146   -3.8637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    3.7425   -3.2257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.3520   -3.8637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.7425   -2.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4122   -2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0680   -3.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3195   -2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3163   -0.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5928   -0.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5247   -0.7093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.5038   -3.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0537   -2.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9774   -1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4122   -1.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5928   -0.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9335   -3.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9493   -4.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0586   -0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9330   -0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6091   -0.6594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9619   -2.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6102   -4.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1972   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6067    0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6217   -0.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0586   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0586   -1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0744   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5240   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5524   -1.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7599   -1.6003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  5  1  0  0  0  0\n  8  6  1  0  0  0  0\n  9  2  1  0  0  0  0\n 10  1  1  0  0  0  0\n  1 11  1  6  0  0  0\n  4 12  1  1  0  0  0\n 13 12  1  0  0  0  0\n 14 17  1  0  0  0  0\n  6 15  1  6  0  0  0\n 16 10  1  0  0  0  0\n 17 11  1  0  0  0  0\n 18  9  2  0  0  0  0\n 19 13  2  0  0  0  0\n 20 15  2  0  0  0  0\n  7 21  1  6  0  0  0\n 22 29  1  0  0  0  0\n  3 23  1  1  0  0  0\n 24 27  1  0  0  0  0\n  6 25  1  1  0  0  0\n  5 26  1  1  0  0  0\n 27 13  1  0  0  0  0\n 14 28  1  6  0  0  0\n 29 32  1  0  0  0  0\n 30 22  1  0  0  0  0\n 31 22  1  0  0  0  0\n 32 24  1  0  0  0  0\n 33 30  1  0  0  0  0\n 34 31  1  0  0  0  0\n  2 35  1  1  0  0  0\n 16  9  1  0  0  0  0\n 14  3  1  0  0  0  0\n  8  4  1  0  0  0  0\nM  END",
        "smiles": "C=C[C@]1(C)C[C@H]([C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@@]23[H])[C@@H](C)[C@@H]1O)OC(=O)CSCCN(CC)CC",
        "formula": "C28H47NO4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 8,
        "ez_centers": 0,
        "molecular_weight": "493.7442",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "b03476d9-6799-430a-a316-5e95051dc683",
          "aa0b3de5-3d85-4920-aedb-2b2db1573a16",
          "fb479a05-01d6-4981-8b00-5c15d2bc7965"
        ],
        "stereo_centers": 8
      },
      "unii": "E38WZ4U54R"
    }
  ]
}