PC-Compounds ::= {
  {
    id {
      id cid 7967
    },
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        2,
        3,
        4,
        5,
        6,
        7,
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        9,
        10,
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      },
      element {
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        c,
        h,
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        h,
        h,
        h,
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        h,
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      }
    },
    bonds {
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        2,
        2,
        2,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
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        type {
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          units-angstroms
        },
        aid {
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          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17
        },
        conformers {
          {
            x {
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              { -18351, 10, -4 },
              { -10637, 10, -4 },
              { -10633, 10, -4 },
              { 3253, 10, -4 },
              { 3253, 10, -4 },
              { 10663, 10, -4 },
              { -20192, 10, -4 },
              { -28133, 10, -4 },
              { -16242, 10, -4 },
              { -9746, 10, -4 },
              { -9737, 10, -4 },
              { -16237, 10, -4 },
              { 2636, 10, -4 },
              { 897, 10, -3 },
              { 8971, 10, -4 },
              { 2632, 10, -4 }
            },
            y {
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              { 2, 10, -4 },
              { -1258, 10, -3 },
              { 1258, 10, -3 },
              { -12863, 10, -4 },
              { 12861, 10, -4 },
              { 0, 10, 0 },
              { 3, 10, -4 },
              { 3, 10, -4 },
              { -21474, 10, -4 },
              { -12977, 10, -4 },
              { 12972, 10, -4 },
              { 21476, 10, -4 },
              { -1405, 10, -3 },
              { -21286, 10, -4 },
              { 21285, 10, -4 },
              { 14043, 10, -4 }
            },
            z {
              { 2971, 10, -4 },
              { -1136, 10, -4 },
              { 2791, 10, -4 },
              { 2795, 10, -4 },
              { -3437, 10, -4 },
              { -3441, 10, -4 },
              { -542, 10, -4 },
              { -11948, 10, -4 },
              { 3804, 10, -4 },
              { -298, 10, -4 },
              { 1372, 10, -3 },
              { 13724, 10, -4 },
              { -288, 10, -4 },
              { -14309, 10, -4 },
              { 598, 10, -4 },
              { 588, 10, -4 },
              { -14313, 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 "00001F1F00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 10611, 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 { 10148, 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"
                },
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                  "23552423 10 18260556584746731630",
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                }
              },
              {
                urn {
                  label "Shape",
                  name "Multipoles",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 157, 10, -2 },
                  { 67, 10, -2 },
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                  { 0, 10, 0 }
                }
              },
              {
                urn {
                  label "Shape",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 267413, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 832, 10, -1 }
              }
            }
          }
        },
        data {
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            urn {
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          {
            urn {
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              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
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        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "6 0.06",
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        }
      },
      {
        urn {
          label "Count",
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
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      {
        urn {
          label "Features",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "6 2 3 4 5 6 7 rings"
        }
      }
    },
    count {
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      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 2
    }
  }
}