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            value fval { 12, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
              1,
              41,
              28,
              31,
              43,
              11,
              45,
              6,
              35,
              32,
              46,
              16,
              40,
              12,
              13,
              23,
              2,
              27,
              38,
              50,
              34,
              33,
              44,
              8,
              14,
              26,
              36,
              15,
              47,
              49,
              29,
              18,
              48,
              30,
              39,
              3,
              20,
              42,
              22,
              37,
              21,
              5,
              24,
              7,
              25,
              19,
              9,
              17,
              4,
              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 {
          "49",
          "1 -0.53",
          "10 0.14",
          "15 -0.14",
          "16 -0.14",
          "2 -0.53",
          "27 -0.15",
          "28 -0.15",
          "29 -0.14",
          "3 0.86",
          "30 -0.14",
          "31 0.29",
          "32 -0.15",
          "33 -0.15",
          "34 -0.02",
          "35 -0.02",
          "36 0.08",
          "37 0.08",
          "38 0.29",
          "39 0.29",
          "4 0.86",
          "40 0.29",
          "41 0.29",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "46 -0.15",
          "47 -0.15",
          "48 -0.15",
          "49 -0.15",
          "5 -0.71",
          "6 -0.71",
          "7 -0.71",
          "8 -0.71",
          "84 0.15",
          "85 0.15",
          "88 0.15",
          "89 0.15",
          "9 0.14",
          "90 0.45",
          "91 0.45",
          "92 0.15",
          "93 0.15",
          "94 0.15",
          "95 0.15",
          "96 0.15",
          "97 0.15",
          "98 0.15",
          "99 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 { 1, 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 {
          "16",
          "1 1 donor",
          "1 2 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 10 19 20 hydrophobe",
          "3 9 17 18 hydrophobe",
          "4 13 21 22 23 hydrophobe",
          "4 14 24 25 26 hydrophobe",
          "5 3 5 6 38 39 rings",
          "5 4 7 8 40 41 rings",
          "6 15 27 29 32 34 36 rings",
          "6 16 28 30 33 35 37 rings",
          "6 38 39 42 43 46 47 rings",
          "6 40 41 44 45 48 49 rings"
        }
      }
    },
    count {
      heavy-atom 49,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 5
    }
  }
}