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            },
            value fval { 14, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.11.26"
            },
            value ivec {
              1,
              46,
              47,
              38,
              35,
              30,
              26,
              45,
              16,
              34,
              54,
              14,
              32,
              51,
              39,
              43,
              41,
              22,
              56,
              58,
              15,
              49,
              20,
              55,
              2,
              28,
              19,
              44,
              27,
              10,
              52,
              57,
              4,
              50,
              17,
              11,
              42,
              29,
              53,
              37,
              13,
              33,
              25,
              7,
              12,
              48,
              24,
              31,
              18,
              5,
              6,
              23,
              8,
              36,
              40,
              21,
              9,
              3
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "43",
          "1 -0.18",
          "10 -0.55",
          "11 -0.08",
          "13 0.3",
          "14 0.3",
          "15 0.28",
          "16 0.28",
          "17 0.06",
          "18 -0.08",
          "19 -0.08",
          "2 0.54",
          "28 0.3",
          "3 -0.58",
          "30 0.54",
          "32 0.09",
          "33 0.57",
          "34 0.08",
          "35 -0.15",
          "36 0.12",
          "37 -0.15",
          "38 -0.15",
          "39 0.3",
          "4 -0.36",
          "40 0.54",
          "41 0.09",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "46 0.18",
          "5 -0.57",
          "6 -0.57",
          "7 -0.57",
          "8 -0.66",
          "88 0.15",
          "89 0.37",
          "9 -0.66",
          "90 0.15",
          "91 0.15",
          "95 0.15",
          "96 0.15",
          "97 0.15",
          "98 0.15"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 142, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "9",
          "1 10 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "4 11 20 21 22 hydrophobe",
          "6 17 23 24 25 26 27 rings",
          "6 32 34 35 36 37 38 rings",
          "6 41 42 43 44 45 46 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}