PC-Compound ::= {
  id {
    id cid 20080179
  },
  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,
      10,
      11,
      11,
      12,
      12,
      13,
      14,
      14,
      15,
      16,
      17
    },
    aid2 {
      14,
      15,
      16,
      16,
      17,
      17,
      18,
      18,
      11,
      12,
      14,
      19,
      11,
      13,
      15,
      20,
      21,
      22,
      13,
      16,
      17,
      15,
      23,
      24,
      18,
      18
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 9,
      above 11,
      top 12,
      bottom 14,
      below 19,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 10,
      above 11,
      top 13,
      bottom 15,
      below 20,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 14,
      above 1,
      top 9,
      bottom 15,
      below 23,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 15,
      above 2,
      top 10,
      bottom 14,
      below 24,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      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
      },
      conformers {
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          },
          y {
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          z {
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            { 2275, 10, -4 },
            { -15471, 10, -4 }
          },
          data {
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            {
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                software "Szybki",
                source "openeye.com",
                release "2012.01.18"
              },
              value fval { 818372, 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 { 10208, 10, -3 }
            },
            {
              urn {
                label "Fingerprint",
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                datatype stringlist,
                version "2.1",
                software "PubChem",
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                "81228 2 18270950362505380667",
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              }
            },
            {
              urn {
                label "Shape",
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                datatype doublevec,
                version "1.8.1",
                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
              value fvec {
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            {
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              value fval { 767046, 10, -3 }
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            {
              urn {
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                release "2012.01.18"
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      data {
        {
          urn {
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            name "RMSD",
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          },
          value fval { 6, 10, -1 }
        },
        {
          urn {
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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,
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        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
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    },
    {
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        release "2012.01.18"
      },
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    {
      urn {
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        datatype stringlist,
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        source "openeye.com",
        release "2012.05.21"
      },
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        "7 9 10 11 12 13 14 15 rings"
      }
    }
  },
  count {
    heavy-atom 18,
    atom-chiral 4,
    atom-chiral-def 0,
    atom-chiral-undef 4,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}