PC-Compounds ::= {
  {
    id {
      id cid 162265
    },
    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
      },
      element {
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        2,
        3,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11
      },
      aid2 {
        3,
        21,
        4,
        19,
        20,
        4,
        5,
        12,
        6,
        13,
        7,
        8,
        14,
        15,
        16,
        9,
        17,
        10,
        18,
        11,
        22,
        11,
        23,
        24
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 3,
        above 1,
        top 4,
        bottom 5,
        below 12,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 4,
        above 2,
        top 3,
        bottom 6,
        below 13,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24
        },
        conformers {
          {
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              { -12236, 10, -4 },
              { -22505, 10, -4 },
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              { -21549, 10, -4 },
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              { 21065, 10, -4 },
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              { -13405, 10, -4 },
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              { -29647, 10, -4 },
              { -22604, 10, -4 },
              { -12155, 10, -4 },
              { 4788, 10, -4 },
              { 2349, 10, -4 },
              { -19663, 10, -4 },
              { -1138, 10, -3 },
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              { 28206, 10, -4 },
              { 2566, 10, -3 },
              { 38704, 10, -4 }
            },
            y {
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              { 3652, 10, -4 },
              { -10509, 10, -4 },
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              { 20329, 10, -4 },
              { -22389, 10, -4 },
              { -19252, 10, -4 },
              { 16954, 10, -4 },
              { -2057, 10, -3 },
              { 18231, 10, -4 },
              { -2174, 10, -4 }
            },
            z {
              { 11178, 10, -4 },
              { -3461, 10, -4 },
              { 878, 10, -3 },
              { -1396, 10, -4 },
              { 4174, 10, -4 },
              { -15, 10, -1 },
              { 7246, 10, -4 },
              { -3012, 10, -4 },
              { 3, 10, -1 },
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              { 14287, 10, -4 },
              { 5354, 10, -4 },
              { -1293, 10, -3 },
              { -7561, 10, -4 }
            },
            data {
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                  release "2009.12.11"
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              {
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 236903, 10, -4 }
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              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 25371, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  datatype stringlist,
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                  software "PubChem",
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                  "63268167 104 18187646886239626048",
                  "8030462 33 18272931604985612928"
                }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              },
              {
                urn {
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                  version "2.1",
                  software "PubChem",
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              {
                urn {
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        data {
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            urn {
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            },
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          {
            urn {
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              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
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            }
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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.com",
          release "2012.11.26"
        },
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      },
      {
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      {
        urn {
          label "Features",
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          source "openeye.com",
          release "2012.11.26"
        },
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        }
      }
    },
    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
    }
  }
}