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                value fval { 4916, 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 "2012.02.08"
            },
            value ivec {
              1,
              47,
              9,
              25,
              36,
              4,
              2,
              38,
              13,
              21,
              3,
              29,
              46,
              11,
              42,
              18,
              39,
              23,
              35,
              17,
              40,
              26,
              8,
              16,
              48,
              5,
              30,
              37,
              22,
              6,
              24,
              28,
              20,
              33,
              31,
              44,
              43,
              45,
              12,
              27,
              41,
              14,
              15,
              34,
              19,
              32,
              7,
              10
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "50",
          "1 -0.57",
          "10 0.06",
          "15 -0.12",
          "16 -0.12",
          "17 0.49",
          "18 0.49",
          "19 -0.15",
          "2 -0.57",
          "20 -0.15",
          "21 0.14",
          "22 0.14",
          "23 -0.15",
          "24 -0.15",
          "25 -0.14",
          "26 -0.14",
          "27 0.14",
          "28 0.14",
          "29 -0.15",
          "3 0.14",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.14",
          "36 -0.14",
          "37 -0.15",
          "38 -0.15",
          "39 0.14",
          "4 0.14",
          "40 0.14",
          "41 -0.15",
          "42 -0.15",
          "63 0.15",
          "64 0.15",
          "7 -0.14",
          "71 0.15",
          "72 0.15",
          "79 0.15",
          "8 -0.14",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "85 0.15",
          "86 0.15",
          "9 0.06",
          "93 0.15",
          "94 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 { 112, 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 {
          "10",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 27 hydrophobe",
          "1 28 hydrophobe",
          "1 39 hydrophobe",
          "1 40 hydrophobe",
          "3 3 11 12 hydrophobe",
          "3 4 13 14 hydrophobe",
          "6 3 5 7 9 15 17 rings",
          "6 4 6 8 10 16 18 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 9,
      bond-chiral-def 9,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}