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              46,
              36,
              41,
              28,
              25,
              34,
              5,
              54,
              4,
              10,
              33,
              26,
              55,
              12,
              20
            }
          }
        }
      }
    },
    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 {
          "50",
          "1 -0.19",
          "11 0.14",
          "12 0.06",
          "15 0.69",
          "17 -0.14",
          "18 0.57",
          "19 0.44",
          "2 -0.57",
          "20 0.12",
          "21 -0.15",
          "22 -0.15",
          "23 -0.29",
          "24 0.3",
          "25 0.3",
          "26 -0.15",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 0.28",
          "31 0.28",
          "32 -0.28",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 0.19",
          "37 0.14",
          "38 0.14",
          "39 0.14",
          "4 -0.56",
          "40 -0.29",
          "41 -0.28",
          "42 0.14",
          "43 0.14",
          "5 -0.66",
          "58 0.15",
          "59 0.15",
          "6 -0.48",
          "60 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "7 -0.66",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "8 0.3",
          "83 0.15",
          "9 0.3"
        }
      },
      {
        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 { 116, 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 2 acceptor",
          "1 3 acceptor",
          "1 38 hydrophobe",
          "1 4 acceptor",
          "3 41 42 43 hydrophobe",
          "4 32 37 39 40 hydrophobe",
          "5 5 6 8 9 15 rings",
          "6 17 21 22 28 29 33 rings",
          "6 20 26 27 34 35 36 rings",
          "6 4 7 24 25 30 31 rings",
          "7 8 9 10 11 12 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}