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              60,
              62,
              38,
              7,
              17,
              24,
              13,
              10,
              77,
              16,
              85,
              15,
              12,
              79,
              52,
              61
            }
          }
        }
      }
    },
    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 {
          "42",
          "1 -0.36",
          "10 0.37",
          "13 0.27",
          "14 0.27",
          "15 0.41",
          "16 -0.14",
          "17 0.41",
          "18 -0.14",
          "19 0.1",
          "2 -0.36",
          "20 0.14",
          "22 -0.15",
          "23 -0.15",
          "25 -0.15",
          "26 0.31",
          "27 -0.15",
          "28 0.72",
          "29 0.37",
          "3 -0.81",
          "30 0.37",
          "32 -0.15",
          "33 0.08",
          "34 0.08",
          "35 0.37",
          "36 0.27",
          "37 0.27",
          "38 0.27",
          "4 -0.87",
          "41 0.28",
          "42 0.28",
          "5 -0.84",
          "54 0.4",
          "57 0.15",
          "58 0.15",
          "6 -0.62",
          "61 0.15",
          "62 0.15",
          "7 -0.62",
          "72 0.15",
          "73 0.4",
          "8 -0.87",
          "9 -0.81"
        }
      },
      {
        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 { 162, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 cation",
          "1 31 hydrophobe",
          "1 4 donor",
          "1 5 cation",
          "1 8 donor",
          "1 9 cation",
          "4 6 7 8 28 cation",
          "6 16 18 19 22 23 25 rings",
          "6 21 26 27 32 33 34 rings",
          "6 3 10 11 12 13 14 rings",
          "6 6 7 17 21 26 28 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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 9
    }
  }
}