PC-Compounds ::= {
  {
    id {
      id cid 442424
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30
      },
      element {
        o,
        o,
        o,
        o,
        o,
        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
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        11,
        12,
        12,
        13,
        13,
        14,
        16,
        16,
        16
      },
      aid2 {
        10,
        14,
        10,
        26,
        13,
        27,
        15,
        16,
        15,
        7,
        9,
        10,
        17,
        8,
        12,
        18,
        11,
        19,
        20,
        11,
        13,
        21,
        22,
        14,
        15,
        23,
        24,
        25,
        28,
        29,
        30
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 9,
        bottom 10,
        below 17,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 12,
        bottom 8,
        below 18,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 1,
        top 2,
        bottom 6,
        below 21,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30
        },
        conformers {
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            y {
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            z {
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              { -397, 10, -4 },
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              { -15652, 10, -4 },
              { -12539, 10, -4 },
              { 2936, 10, -4 },
              { -12588, 10, -4 }
            },
            data {
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                urn {
                  label "Feature",
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                },
                value fval { 40768, 10, -3 }
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              {
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              {
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                  source "openeye.com",
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                value fvec {
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              {
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        data {
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            urn {
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          },
          {
            urn {
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              datatype uintvec,
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    },
    props {
      {
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          software "OEChem",
          source "openeye.com",
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          "6 0.14",
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      },
      {
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          release "2012.11.26"
        },
        value fval { 36, 10, -1 }
      },
      {
        urn {
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          datatype stringlist,
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        value slist {
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          "1 3 donor",
          "1 5 acceptor",
          "5 6 7 8 9 11 rings",
          "6 1 6 7 10 12 14 rings"
        }
      }
    },
    count {
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      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}