PC-Compounds ::= {
  {
    id {
      id cid 71748919
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
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        10,
        11,
        12,
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        35,
        36,
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        o,
        o,
        o,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      isotope {
        {
          aid 31,
          value 2
        },
        {
          aid 32,
          value 2
        },
        {
          aid 36,
          value 2
        },
        {
          aid 37,
          value 2
        },
        {
          aid 38,
          value 2
        }
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        14,
        14,
        17,
        17,
        17,
        18,
        18,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        23,
        24,
        24,
        25,
        25,
        26,
        27
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      aid2 {
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        19,
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        16,
        19,
        26,
        43,
        10,
        12,
        16,
        15,
        23,
        9,
        17,
        19,
        11,
        13,
        13,
        15,
        16,
        18,
        14,
        28,
        29,
        30,
        15,
        20,
        21,
        31,
        32,
        33,
        34,
        22,
        35,
        36,
        37,
        38,
        23,
        24,
        25,
        26,
        40,
        27,
        41,
        27,
        42
      },
      order {
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        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
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        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 2,
        top 17,
        bottom 9,
        below 19,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          6,
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          8,
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          33,
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          35,
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          37,
          38,
          39,
          40,
          41,
          42,
          43
        },
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            y {
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              { -4367, 10, -4 }
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            data {
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              {
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              {
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        data {
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          {
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    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
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      },
      {
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      {
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          "5 6 10 12 14 15 rings",
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          "6 6 9 10 11 13 16 rings",
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    },
    count {
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    }
  }
}