PC-Compounds ::= {
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        },
        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 "2010.05.05"
            },
            value ivec {
              2,
              3,
              1,
              5,
              4
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "58",
          "1 -0.36",
          "10 -0.45",
          "11 0.14",
          "12 0.14",
          "13 0.28",
          "14 0.28",
          "15 0.27",
          "16 0.27",
          "17 0.34",
          "18 0.34",
          "2 -0.36",
          "21 -0.14",
          "22 -0.14",
          "25 0.14",
          "26 0.14",
          "27 0.27",
          "28 0.27",
          "29 -0.14",
          "3 -0.68",
          "30 -0.14",
          "31 0.33",
          "32 0.33",
          "33 0.06",
          "34 0.06",
          "35 0.08",
          "36 0.08",
          "37 0.41",
          "38 0.41",
          "39 -0.15",
          "4 -0.68",
          "40 -0.15",
          "41 0.08",
          "42 0.08",
          "43 -0.15",
          "44 -0.15",
          "45 -0.29",
          "46 -0.29",
          "47 -0.3",
          "48 -0.3",
          "5 -0.53",
          "6 -0.53",
          "7 -0.81",
          "73 0.4",
          "74 0.4",
          "79 0.15",
          "8 -0.81",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "85 0.45",
          "86 0.45",
          "87 0.15",
          "88 0.15",
          "89 0.15",
          "9 -0.45",
          "90 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 { 78, 10, -1 }
      },
      {
        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 {
          "24",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 47 hydrophobe",
          "1 48 hydrophobe",
          "1 5 donor",
          "1 6 donor",
          "1 7 cation",
          "1 8 cation",
          "1 9 acceptor",
          "5 1 11 17 21 35 rings",
          "5 2 12 18 22 36 rings",
          "6 11 13 15 21 25 29 rings",
          "6 11 13 17 23 31 33 rings",
          "6 12 14 16 22 26 30 rings",
          "6 12 14 18 24 32 34 rings",
          "6 21 29 35 39 41 43 rings",
          "6 22 30 36 40 42 44 rings",
          "6 7 11 13 15 19 27 rings",
          "6 8 12 14 16 20 28 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      atom-chiral 8,
      atom-chiral-def 8,
      atom-chiral-undef 0,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 5
    }
  }
}