PC-Compound ::= {
  id {
    id cid 7296
  },
  atoms {
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      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
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    },
    element {
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      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
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      2,
      2,
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    aid2 {
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    },
    order {
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      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  coords {
    {
      type {
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        computed,
        units-angstroms
      },
      aid {
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        6,
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        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18
      },
      conformers {
        {
          x {
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            { 229, 10, -4 },
            { 233, 10, -4 },
            { 14776, 10, -4 },
            { 14763, 10, -4 },
            { -22231, 10, -4 },
            { -7505, 10, -4 },
            { -1842, 10, -4 },
            { -2032, 10, -4 },
            { -2072, 10, -4 },
            { -1773, 10, -4 },
            { 21088, 10, -4 },
            { 18725, 10, -4 },
            { 18559, 10, -4 },
            { 21184, 10, -4 },
            { -27471, 10, -4 },
            { -22953, 10, -4 },
            { -27473, 10, -4 }
          },
          y {
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            { -11888, 10, -4 },
            { 11873, 10, -4 },
            { -7645, 10, -4 },
            { 7652, 10, -4 },
            { 0, 10, 0 },
            { 34, 10, -4 },
            { -13627, 10, -4 },
            { -2113, 10, -3 },
            { 21158, 10, -4 },
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            { -11668, 10, -4 },
            { -11403, 10, -4 },
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            { 11781, 10, -4 },
            { 8871, 10, -4 },
            { -23, 10, -4 },
            { -8854, 10, -4 }
          },
          z {
            { 3658, 10, -4 },
            { -1561, 10, -4 },
            { -1619, 10, -4 },
            { 209, 10, -4 },
            { 292, 10, -4 },
            { -979, 10, -4 },
            { 14635, 10, -4 },
            { -12193, 10, -4 },
            { 3847, 10, -4 },
            { 3697, 10, -4 },
            { -12279, 10, -4 },
            { -7779, 10, -4 },
            { 9718, 10, -4 },
            { 9904, 10, -4 },
            { -7553, 10, -4 },
            { 2724, 10, -4 },
            { -11907, 10, -4 },
            { 2761, 10, -4 }
          },
          data {
            {
              urn {
                label "Conformer",
                name "ID",
                datatype uint64,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2009.12.11"
              },
              value sval "00001C8000000001"
            },
            {
              urn {
                label "Energy",
                name "MMFF94 NoEstat",
                datatype double,
                version "1.6.0",
                software "Szybki",
                source "openeye.com",
                release "2012.01.18"
              },
              value fval { 56214, 10, -4 }
            },
            {
              urn {
                label "Feature",
                name "Self Overlap",
                datatype double,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.01.18"
              },
              value fval { 5074, 10, -3 }
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            {
              urn {
                label "Fingerprint",
                name "Shape",
                datatype stringlist,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.11.26"
              },
              value slist {
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                "21040471 1 18267022936787789552",
                "29004967 10 18333737905131699161",
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              }
            },
            {
              urn {
                label "Shape",
                name "Multipoles",
                datatype doublevec,
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
              value fvec {
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                { 0, 10, 0 }
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            },
            {
              urn {
                label "Shape",
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                datatype double,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.01.18"
              },
              value fval { 234093, 10, -3 }
            },
            {
              urn {
                label "Shape",
                name "Volume",
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
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      data {
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          value fval { 4, 10, -1 }
        },
        {
          urn {
            label "Diverse Conformer",
            name "ID List",
            datatype uintvec,
            release "2010.05.05"
          },
          value ivec {
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            2
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
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    },
    {
      urn {
        label "Count",
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        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.01.18"
      },
      value fval { 1, 10, 0 }
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    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
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        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "1",
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      }
    }
  },
  count {
    heavy-atom 6,
    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}