PC-Compounds ::= {
  {
    id {
      id cid 72150
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
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        o,
        o,
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        n,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
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        1,
        2,
        2,
        3,
        3,
        4,
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        6,
        6,
        6,
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      aid2 {
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        10,
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        7,
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        16,
        8,
        10,
        12,
        14,
        15,
        11,
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
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        center 7,
        above 6,
        top 8,
        bottom 10,
        below 12,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 1,
        top 6,
        bottom 11,
        below 13,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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        },
        conformers {
          {
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              { -35016, 10, -4 },
              { 2365, 10, -3 },
              { -22958, 10, -4 },
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              { -11833, 10, -4 },
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              { -23532, 10, -4 },
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              { 14756, 10, -4 },
              { 514, 10, -4 },
              { 42747, 10, -4 },
              { -42859, 10, -4 }
            },
            y {
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              { 16257, 10, -4 },
              { 12448, 10, -4 },
              { 5586, 10, -4 },
              { -3638, 10, -4 },
              { -14632, 10, -4 },
              { -2966, 10, -4 },
              { 4322, 10, -4 },
              { 415, 10, -3 },
              { -77, 10, -2 },
              { -5271, 10, -4 },
              { -11354, 10, -4 },
              { -23582, 10, -4 },
              { 12081, 10, -4 },
              { 1527, 10, -4 },
              { 479, 10, -3 }
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            z {
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              { -5861, 10, -4 },
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              { -16147, 10, -4 },
              { -3907, 10, -4 },
              { 12044, 10, -4 },
              { -1471, 10, -4 },
              { 1926, 10, -4 }
            },
            data {
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                  software "PubChem",
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              {
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                value fval { 45783, 10, -3 }
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              },
              {
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                value fvec {
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              {
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        data {
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          {
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    props {
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          software "OEChem",
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          release "2012.11.26"
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          "3 3 5 11 anion",
          "5 1 6 7 8 9 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
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      bond-chiral 0,
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      bond-chiral-undef 0,
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      covalent-unit 1,
      tautomers 1
    }
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}