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              31,
              281,
              54,
              59,
              68,
              29,
              13,
              26,
              3,
              35,
              262,
              9,
              11,
              23,
              14,
              7
            }
          }
        }
      }
    },
    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 {
          "53",
          "1 -0.18",
          "10 0.35",
          "11 -0.14",
          "12 0.57",
          "13 0.12",
          "14 -0.14",
          "16 0.44",
          "17 -0.15",
          "18 0.09",
          "19 -0.15",
          "2 -0.18",
          "20 0.18",
          "21 0.18",
          "22 -0.14",
          "23 -0.15",
          "24 -0.15",
          "25 0.54",
          "26 -0.15",
          "27 -0.15",
          "28 0.08",
          "29 -0.15",
          "3 -0.57",
          "30 0.44",
          "31 0.3",
          "32 -0.15",
          "33 -0.15",
          "34 0.08",
          "35 -0.14",
          "37 -0.15",
          "38 0.28",
          "39 0.16",
          "4 -0.57",
          "40 -0.15",
          "41 0.28",
          "42 0.16",
          "48 0.15",
          "49 0.15",
          "5 -0.36",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "59 0.15",
          "6 -0.36",
          "60 0.15",
          "64 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.48",
          "73 0.15",
          "8 -0.66",
          "9 -0.62"
        }
      },
      {
        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 { 104, 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 {
          "10",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 9 acceptor",
          "5 7 10 11 12 13 rings",
          "6 11 13 17 19 21 23 rings",
          "6 14 18 20 24 26 27 rings",
          "6 22 28 29 32 33 34 rings",
          "6 9 35 37 39 40 42 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}