PC-Compounds ::= {
  {
    id {
      id cid 94154
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
        16,
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        20,
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      },
      element {
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        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
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        6,
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        20,
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        22,
        7,
        8,
        11,
        9,
        12,
        10,
        13,
        14,
        15,
        16,
        17
      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 2,
        top 6,
        bottom 9,
        below 12,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 3,
        top 6,
        bottom 10,
        below 13,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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        },
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          22
        },
        conformers {
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              { -25756, 10, -4 },
              { 27664, 10, -4 },
              { -84, 10, -4 },
              { -13, 10, -1 },
              { 12704, 10, -4 },
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              { 25415, 10, -4 },
              { 77, 10, -3 },
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            y {
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              { 5349, 10, -4 },
              { 6317, 10, -4 },
              { -2533, 10, -4 },
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              { 17141, 10, -4 },
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              { -16661, 10, -4 }
            },
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              { 382, 10, -4 }
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            data {
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              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
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                  release "2012.11.26"
                },
                value fval { 50763, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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              {
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                },
                value fvec {
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              },
              {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 326924, 10, -3 }
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              {
                urn {
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        },
        data {
          {
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          },
          {
            urn {
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              datatype uintvec,
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
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          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
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}