PC-Compounds ::= {
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      tetrahedral {
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      tetrahedral {
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      tetrahedral {
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      tetrahedral {
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      tetrahedral {
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      tetrahedral {
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      tetrahedral {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
                  { 87711, 10, -2 },
                  { 1357, 10, -2 },
                  { 405, 10, -2 },
                  { 289, 10, -2 },
                  { 1501, 10, -2 },
                  { 1, 10, -2 },
                  { -187, 10, -2 },
                  { -765, 10, -2 },
                  { 422, 10, -2 },
                  { -23, 10, -1 },
                  { 93, 10, -2 },
                  { -131, 10, -2 },
                  { 56, 10, -2 },
                  { 9, 10, -2 }
                }
              },
              {
                urn {
                  label "Shape",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 1921891, 10, -3 }
              },
              {
                urn {
                  label "Shape",
                  name "Volume",
                  datatype double,
                  version "1.8.3",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 4655, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
              label "Conformer",
              name "RMSD",
              datatype double,
              release "2009.12.11"
            },
            value fval { 12, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2010.07.16"
            },
            value ivec {
              1,
              2
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "45",
          "1 -0.43",
          "10 -0.57",
          "11 -0.57",
          "12 -0.81",
          "16 0.27",
          "19 0.28",
          "2 -0.56",
          "20 0.28",
          "22 0.28",
          "24 0.28",
          "25 0.28",
          "26 0.28",
          "27 0.27",
          "28 0.28",
          "29 0.28",
          "3 -0.56",
          "31 0.28",
          "32 0.27",
          "33 0.66",
          "34 0.28",
          "36 0.28",
          "37 0.63",
          "38 0.28",
          "39 0.06",
          "4 -0.43",
          "40 0.28",
          "41 0.09",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "46 -0.15",
          "5 -0.68",
          "6 -0.68",
          "68 0.4",
          "69 0.4",
          "7 -0.56",
          "70 0.4",
          "8 -0.68",
          "89 0.15",
          "9 -0.56",
          "90 0.15",
          "91 0.15",
          "92 0.15",
          "93 0.15"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 13, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "18",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 12 cation",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "6 13 14 21 22 28 30 rings",
          "6 41 42 43 44 45 46 rings",
          "8 12 13 14 16 17 20 21 27 rings",
          "8 13 14 15 16 17 18 19 20 rings",
          "8 15 18 19 23 24 25 26 29 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 15,
      atom-chiral-def 14,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}