PC-Compounds ::= {
  {
    id {
      id cid 65065
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        20,
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      },
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        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
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        1,
        2,
        2,
        3,
        4,
        5,
        6,
        6,
        6,
        7,
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        10,
        14,
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        12,
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      },
      order {
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        single,
        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 6,
        top 8,
        bottom 9,
        below 13,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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        },
        conformers {
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              { 22436, 10, -4 },
              { -20475, 10, -4 },
              { -5288, 10, -4 },
              { -82, 10, -4 },
              { 14384, 10, -4 },
              { -8732, 10, -4 },
              { 23634, 10, -4 },
              { -15077, 10, -4 },
              { -18856, 10, -4 },
              { -609, 10, -4 },
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              { -24506, 10, -4 },
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            y {
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              { -17894, 10, -4 },
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              { 1415, 10, -3 },
              { 25345, 10, -4 },
              { -3616, 10, -4 },
              { -1716, 10, -3 },
              { -10783, 10, -4 },
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              { 21387, 10, -4 },
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              { -23691, 10, -4 },
              { 11234, 10, -4 }
            },
            z {
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              { -2459, 10, -4 },
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              { 6508, 10, -4 }
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            data {
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                urn {
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                  software "PubChem",
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                },
                value fval { 40716, 10, -3 }
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              {
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              {
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                value fvec {
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              {
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                },
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              {
                urn {
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        data {
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          {
            urn {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      {
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          release "2012.11.26"
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        value slist {
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          "1 5 acceptor",
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          "3 1 3 9 anion",
          "3 2 4 10 anion"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}