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        "molfile": "\n  Marvin  01132107572D          \n\n 18 15  0  0  0  0            999 V2000\n    9.7244   -5.1006    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n    2.2966   -2.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0106   -2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7247   -2.7727    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    4.4388   -2.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1529   -2.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8669   -2.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5809   -2.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2950   -2.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0091   -2.7602    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.7231   -2.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4372   -2.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1360   -3.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1340   -3.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4202   -3.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5938   -3.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8628   -1.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7244   -5.1006    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  4  5  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n  5  6  1  0  0  0  0\n  4 13  1  0  0  0  0\n  2  3  1  0  0  0  0\n  4 14  1  0  0  0  0\n  6  7  1  0  0  0  0\n 10 15  1  0  0  0  0\n 10 16  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7 17  1  0  0  0  0\nM  CHG  4   1  -1   4   1  10   1  18  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2   1  18\nM  SPA   1  1   1\nM  SDI   1  4    9.3044   -5.5206    9.3044   -4.6806\nM  SDI   1  4   10.1444   -4.6806   10.1444   -5.5206\nM  SMT   1 2\nM  END",
        "smiles": "CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC.[Br-].[Br-]",
        "formula": "C13H33N3.2Br",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "391.2288",
        "optical_activity": "NONE",
        "references": [
          "9f6d53c0-5463-4350-9665-a2d47f471461",
          "2928afe2-2b40-4a1f-b017-54c22badd38b",
          "5fa78685-c228-4a77-89b2-5880cb786aaa"
        ],
        "stereo_centers": 0
      },
      "unii": "4K6NEI0MSR"
    }
  ]
}