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                name "Self Overlap",
                datatype double,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.11.26"
              },
              value fval { 1576949, 10, -3 }
            },
            {
              urn {
                label "Shape",
                name "Volume",
                datatype double,
                version "1.8.3",
                software "OEShape",
                source "openeye.com",
                release "2012.11.26"
              },
              value fval { 4034, 10, -1 }
            }
          }
        }
      },
      data {
        {
          urn {
            label "Conformer",
            name "RMSD",
            datatype double,
            release "2009.12.11"
          },
          value fval { 1, 10, 0 }
        },
        {
          urn {
            label "Diverse Conformer",
            name "ID List",
            datatype uintvec,
            release "2012.02.08"
          },
          value ivec {
            25,
            10,
            26,
            22,
            24,
            1,
            36,
            16,
            34,
            27,
            6,
            9,
            12,
            32,
            33,
            28,
            4,
            8,
            21,
            19,
            30,
            31,
            2,
            14,
            18,
            7,
            23,
            15,
            13,
            3,
            17,
            37,
            5,
            20,
            11,
            35,
            29
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "25",
        "1 -0.68",
        "17 0.14",
        "2 -0.56",
        "27 0.28",
        "28 -0.28",
        "29 0.42",
        "3 -0.43",
        "30 -0.14",
        "31 0.56",
        "32 0.71",
        "33 0.28",
        "34 0.28",
        "35 0.28",
        "36 0.28",
        "38 0.28",
        "4 -0.56",
        "5 -0.57",
        "6 -0.68",
        "68 0.4",
        "7 -0.56",
        "71 0.15",
        "77 0.4",
        "8 -0.68",
        "81 0.4",
        "9 0.28"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.01.18"
      },
      value fval { 78, 10, -1 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "16",
        "1 1 acceptor",
        "1 1 donor",
        "1 2 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 6 acceptor",
        "1 6 donor",
        "1 7 acceptor",
        "1 8 acceptor",
        "1 8 donor",
        "5 3 28 29 30 32 rings",
        "5 9 12 17 19 21 rings",
        "6 10 11 13 14 18 20 rings",
        "6 13 14 22 23 26 27 rings",
        "6 4 31 33 34 35 36 rings",
        "6 9 10 11 12 15 16 rings"
      }
    }
  },
  count {
    heavy-atom 38,
    atom-chiral 13,
    atom-chiral-def 13,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}