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              253,
              67,
              39,
              70,
              53,
              206,
              265,
              173,
              43,
              213,
              200,
              155,
              276,
              17,
              60,
              16,
              233,
              29,
              89,
              186,
              126,
              196,
              257,
              93,
              252,
              34,
              197,
              36,
              37,
              153,
              272,
              242,
              169,
              92,
              241,
              31,
              21,
              45,
              15,
              212,
              172,
              99,
              50,
              63,
              5,
              51,
              19,
              81,
              121,
              18,
              118,
              47,
              117,
              176,
              150,
              188,
              24,
              132,
              163,
              151,
              35,
              178,
              32,
              91,
              216,
              193,
              7,
              6
            }
          }
        }
      }
    },
    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 {
          "48",
          "1 1.33",
          "10 -0.42",
          "11 -0.84",
          "12 0.42",
          "14 0.11",
          "15 0.57",
          "17 0.3",
          "18 0.5",
          "19 0.48",
          "2 -0.65",
          "22 -0.14",
          "23 0.05",
          "24 -0.15",
          "25 -0.15",
          "26 -0.3",
          "27 -0.15",
          "28 -0.15",
          "3 -0.65",
          "31 0.44",
          "32 -0.15",
          "33 -0.15",
          "34 -0.04",
          "35 0.1",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.01",
          "41 0.37",
          "42 0.37",
          "5 -0.28",
          "6 -0.85",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.66",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -0.23",
          "9 0.31"
        }
      },
      {
        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 { 11, 10, 0 }
      },
      {
        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 11 cation",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "3 16 20 21 hydrophobe",
          "5 5 34 38 39 40 rings",
          "5 8 9 10 23 26 rings",
          "6 22 24 25 27 28 29 rings",
          "6 30 32 33 35 36 37 rings",
          "7 1 6 7 12 14 15 17 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 2
    }
  }
}