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              224,
              89,
              97,
              42,
              74,
              153,
              156,
              21,
              199,
              162,
              85,
              32,
              226,
              62,
              37,
              143,
              172,
              214,
              114,
              148,
              102,
              122,
              58,
              198,
              170,
              8,
              66,
              87,
              77,
              195,
              164,
              23,
              185,
              169,
              71,
              36,
              211,
              217,
              118,
              107,
              161,
              10,
              142,
              25,
              196,
              100,
              130,
              188,
              149,
              4,
              46,
              138,
              86,
              44,
              158,
              59,
              52,
              24,
              134,
              220,
              93,
              13,
              60,
              131,
              96,
              104,
              12,
              136,
              22,
              68,
              33,
              67,
              34,
              141,
              99,
              9,
              69,
              109,
              63,
              18,
              113,
              216,
              39,
              227,
              168,
              88,
              139,
              28,
              55,
              98,
              184,
              112,
              166,
              7,
              154,
              65,
              76,
              5,
              200,
              84,
              53,
              45
            }
          }
        }
      }
    },
    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 {
          "44",
          "1 -0.18",
          "10 0.42",
          "12 0.27",
          "13 0.27",
          "14 0.27",
          "15 0.3",
          "16 0.27",
          "17 0.27",
          "18 0.55",
          "19 -0.14",
          "2 -0.18",
          "20 0.3",
          "21 0.28",
          "24 0.57",
          "25 -0.15",
          "26 -0.15",
          "27 0.2",
          "28 0.55",
          "29 0.18",
          "3 -0.56",
          "30 -0.15",
          "31 0.18",
          "32 -0.14",
          "33 -0.15",
          "34 -0.15",
          "35 0.27",
          "36 0.27",
          "37 -0.14",
          "38 -0.14",
          "39 -0.15",
          "4 -0.56",
          "40 0.14",
          "41 0.14",
          "5 -0.57",
          "6 -0.81",
          "66 0.15",
          "67 0.15",
          "7 -0.81",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -0.66",
          "81 0.15",
          "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 { 134, 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 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 cation",
          "1 9 cation",
          "3 18 22 23 hydrophobe",
          "6 19 25 26 29 30 31 rings",
          "6 3 8 10 15 20 21 rings",
          "6 32 33 34 37 38 39 rings",
          "6 6 7 13 14 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      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
    }
  }
}