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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 3774, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
              label "Conformer",
              name "RMSD",
              datatype double,
              release "2009.12.11"
            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
              1,
              8,
              3,
              5,
              6,
              2,
              7,
              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 {
          "15",
          "1 -0.68",
          "13 0.28",
          "2 -0.68",
          "22 0.28",
          "23 0.28",
          "29 0.14",
          "3 -0.68",
          "30 -0.29",
          "31 -0.28",
          "32 0.14",
          "33 0.14",
          "69 0.4",
          "75 0.4",
          "76 0.4",
          "79 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 { 62, 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 {
          "12",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "3 16 25 26 hydrophobe",
          "3 31 32 33 hydrophobe",
          "5 5 8 12 14 17 rings",
          "6 4 5 6 8 11 13 rings",
          "6 4 6 7 9 10 15 rings",
          "6 7 9 16 18 22 24 rings"
        }
      }
    },
    count {
      heavy-atom 33,
      atom-chiral 10,
      atom-chiral-def 10,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}