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              release "2012.11.26"
            },
            value fval { 1, 10, 0 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.11.26"
            },
            value ivec {
              3,
              12,
              39,
              37,
              32,
              31,
              26,
              23,
              10,
              1,
              25,
              28,
              38,
              13,
              21,
              27,
              30,
              11,
              24,
              22,
              5,
              34,
              2,
              17,
              33,
              6,
              15,
              14,
              29,
              9,
              19,
              7,
              16,
              36,
              18,
              20,
              35,
              4,
              8
            }
          }
        }
      }
    },
    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 {
          "27",
          "1 -0.08",
          "10 0.06",
          "12 0.28",
          "13 0.06",
          "16 0.45",
          "17 0.28",
          "2 -0.34",
          "25 0.06",
          "28 0.42",
          "3 -0.68",
          "30 0.66",
          "31 -0.28",
          "32 0.14",
          "33 -0.1",
          "34 0.18",
          "35 -0.11",
          "36 0.2",
          "37 0.52",
          "4 -0.68",
          "5 -0.57",
          "6 -0.43",
          "66 0.4",
          "7 -0.57",
          "71 0.4",
          "78 0.15",
          "79 0.15",
          "8 -0.57"
        }
      },
      {
        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 { 66, 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 {
          "11",
          "1 29 hydrophobe",
          "1 3 acceptor",
          "1 3 donor",
          "1 32 hydrophobe",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "5 1 8 34 35 36 rings",
          "6 9 10 11 12 13 16 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 8,
      atom-chiral-def 8,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}