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              135,
              71,
              184,
              14,
              80,
              69,
              100,
              54,
              53,
              62,
              67,
              120,
              51,
              73,
              85,
              31,
              9,
              167,
              170,
              126,
              110,
              125,
              76,
              183,
              130,
              22,
              141,
              112,
              164,
              91,
              101,
              131,
              57,
              150,
              106,
              176,
              83,
              107,
              56,
              35,
              153,
              113,
              158,
              19,
              143,
              157,
              180,
              36,
              132,
              50,
              65,
              74,
              104,
              144,
              162,
              103,
              173,
              25,
              59,
              94,
              27,
              149,
              81,
              7,
              102,
              52,
              168,
              129,
              42,
              23,
              10,
              2,
              40,
              33,
              151,
              165,
              68,
              97,
              29,
              156,
              95,
              5,
              84,
              115,
              79,
              44,
              139,
              48,
              154,
              72,
              116,
              55,
              111,
              133,
              178,
              66,
              142,
              121,
              70,
              24,
              39,
              160,
              20,
              37,
              28,
              147,
              45,
              123,
              108,
              109,
              145,
              32,
              175,
              181,
              172,
              88,
              16,
              17,
              30,
              61,
              41,
              159,
              86,
              4,
              1,
              146,
              63,
              140,
              119,
              152,
              38,
              138,
              161,
              11,
              182,
              34
            }
          }
        }
      }
    },
    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 0.42",
          "24 0.14",
          "25 -0.15",
          "26 0.14",
          "27 -0.29",
          "28 -0.29",
          "29 -0.14",
          "3 -0.43",
          "30 0.71",
          "31 -0.29",
          "34 -0.15",
          "35 -0.29",
          "36 0.14",
          "37 -0.14",
          "38 0.71",
          "4 -0.65",
          "5 -0.57",
          "52 0.4",
          "56 0.15",
          "6 -0.57",
          "60 0.15",
          "66 0.15",
          "7 0.28",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "79 0.15",
          "80 0.15",
          "83 0.15",
          "87 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 { 156, 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 32 hydrophobe",
          "1 39 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "3 4 5 30 anion",
          "4 21 24 27 28 hydrophobe",
          "6 3 22 23 35 37 38 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 7,
      atom-chiral-def 7,
      atom-chiral-undef 0,
      bond-chiral 5,
      bond-chiral-def 0,
      bond-chiral-undef 5,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 7
    }
  }
}