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              113,
              85,
              117,
              20,
              100,
              66,
              18,
              124,
              147,
              114,
              26,
              126,
              45,
              133,
              4,
              15,
              58,
              125,
              53,
              31,
              93,
              80,
              98,
              112,
              86,
              25,
              70,
              69,
              67,
              115,
              71,
              130,
              48,
              152,
              79,
              43,
              122,
              108,
              6,
              142,
              90,
              83,
              54,
              8,
              104,
              28,
              92,
              128,
              95,
              21,
              44,
              55,
              33,
              73,
              42,
              11,
              82,
              140,
              35,
              129,
              103,
              17,
              149,
              91,
              68,
              12,
              56,
              81,
              77,
              110,
              13,
              23,
              132,
              41,
              102,
              37,
              14,
              78,
              27,
              111,
              135,
              64,
              32,
              137,
              72,
              97,
              36,
              94,
              49,
              19
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "43",
          "1 -0.68",
          "10 0.14",
          "11 0.45",
          "14 0.2",
          "15 -0.28",
          "17 -0.29",
          "18 0.14",
          "19 -0.14",
          "2 -0.57",
          "20 -0.14",
          "21 0.14",
          "22 0.14",
          "23 -0.15",
          "24 0.42",
          "25 0.14",
          "26 0.14",
          "27 -0.29",
          "28 0.71",
          "29 -0.29",
          "3 -0.43",
          "30 -0.29",
          "32 -0.29",
          "34 -0.14",
          "35 -0.15",
          "36 -0.14",
          "37 0.71",
          "38 0.14",
          "4 -0.65",
          "5 -0.57",
          "51 0.4",
          "55 0.15",
          "59 0.15",
          "6 -0.57",
          "63 0.15",
          "69 0.15",
          "7 0.28",
          "70 0.15",
          "71 0.15",
          "75 0.15",
          "79 0.15",
          "80 0.15",
          "84 0.5",
          "9 0.06"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 146, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "16",
          "1 1 acceptor",
          "1 1 donor",
          "1 12 hydrophobe",
          "1 13 hydrophobe",
          "1 16 hydrophobe",
          "1 18 hydrophobe",
          "1 2 acceptor",
          "1 26 hydrophobe",
          "1 33 hydrophobe",
          "1 38 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "3 4 5 28 anion",
          "4 22 25 27 29 hydrophobe",
          "6 3 21 24 32 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 7,
      atom-chiral-def 5,
      atom-chiral-undef 2,
      bond-chiral 5,
      bond-chiral-def 5,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 5
    }
  }
}