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                  datatype double,
                  version "1.8.3",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 4122, 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 "2010.05.05"
            },
            value ivec {
              3,
              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 {
          "30",
          "1 -0.56",
          "10 0.28",
          "11 0.27",
          "12 0.28",
          "14 0.56",
          "16 0.06",
          "17 0.28",
          "19 0.06",
          "2 -0.56",
          "21 0.45",
          "24 0.12",
          "25 0.27",
          "26 0.27",
          "28 0.49",
          "29 0.42",
          "3 -0.68",
          "30 0.28",
          "31 0.66",
          "33 -0.14",
          "34 -0.29",
          "4 -0.57",
          "5 -0.43",
          "6 -0.57",
          "60 0.4",
          "7 -0.68",
          "74 0.15",
          "75 0.15",
          "8 -0.57",
          "81 0.4",
          "9 -0.81"
        }
      },
      {
        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 { 7, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 24 anion",
          "1 3 acceptor",
          "1 3 donor",
          "1 37 hydrophobe",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 9 cation",
          "6 2 11 12 14 15 17 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 11,
      atom-chiral-def 11,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 10
    }
  }
}