PC-Compounds ::= {
  {
    id {
      id cid 45356268
    },
    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 {
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        14,
        14,
        14,
        15,
        15,
        15,
        17
      },
      aid2 {
        11,
        12,
        13,
        13,
        16,
        16,
        17,
        18,
        10,
        11,
        14,
        19,
        12,
        15,
        20,
        13,
        17,
        13,
        18,
        16,
        21,
        22,
        16,
        23,
        24,
        18
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 10,
        top 14,
        bottom 11,
        below 19,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 9,
        top 12,
        bottom 15,
        below 20,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 1,
        top 9,
        bottom 13,
        below 17,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 2,
        top 13,
        bottom 10,
        below 18,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
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          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24
        },
        conformers {
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              { -39802, 10, -4 },
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              { -5924, 10, -4 },
              { -5924, 10, -4 },
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              { 9466, 10, -4 },
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              { -22612, 10, -4 },
              { -22614, 10, -4 },
              { -15639, 10, -4 }
            },
            y {
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              { -7606, 10, -4 },
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              { -2332, 10, -4 },
              { -2335, 10, -4 },
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              { 555, 10, -4 },
              { -532, 10, -4 },
              { 12091, 10, -4 },
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              { -17913, 10, -4 },
              { -17918, 10, -4 },
              { 11027, 10, -4 },
              { -3312, 10, -4 },
              { -3326, 10, -4 },
              { 11018, 10, -4 }
            },
            z {
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              { 2766, 10, -3 },
              { -1, 10, -4 },
              { -4, 10, -4 },
              { -5, 10, -4 },
              { 3, 10, -4 },
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              { 0, 10, 0 },
              { -6692, 10, -4 },
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              { -11421, 10, -4 },
              { 11415, 10, -4 },
              { -13944, 10, -4 },
              { -21294, 10, -4 },
              { 21294, 10, -4 },
              { 13954, 10, -4 }
            },
            data {
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                  release "2010.04.19"
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              {
                urn {
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                  version "2.1.0",
                  software "Szybki TK",
                  source "OpenEye Scientific Software",
                  release "2019.06.18"
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                value fval { 8203, 10, -2 }
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              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2019.06.18"
                },
                value fval { 10265, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  software "PubChem",
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                }
              },
              {
                urn {
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                  software "Shape TK",
                  source "OpenEye Scientific Software",
                  release "2019.06.18"
                },
                value fvec {
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                  { 237, 10, -2 },
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              {
                urn {
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                value fval { 768729, 10, -3 }
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              {
                urn {
                  label "Shape",
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        data {
          {
            urn {
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              datatype double,
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          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
              release "2010.07.16"
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            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
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      },
      {
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          label "Features",
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          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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        value slist {
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          "7 9 10 11 12 13 17 18 rings"
        }
      }
    },
    count {
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      atom-chiral 4,
      atom-chiral-def 4,
      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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}