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              39,
              119,
              20,
              104,
              98,
              44,
              56,
              133,
              91,
              53,
              109,
              84,
              136,
              149,
              132,
              67,
              75,
              38,
              129,
              1,
              162,
              97,
              74,
              143,
              118,
              4,
              68,
              60,
              92,
              8,
              126,
              70,
              26,
              154,
              78,
              144,
              160,
              139,
              50,
              34,
              153,
              157,
              15,
              51,
              35,
              106,
              90,
              32,
              156,
              25,
              117,
              76,
              49,
              145,
              72,
              120,
              110,
              138,
              30,
              103,
              155,
              148,
              82,
              93,
              40,
              29,
              9,
              69,
              140,
              12,
              62,
              33,
              2,
              137,
              54,
              41,
              131,
              48,
              107,
              24,
              164,
              158,
              114,
              47,
              65,
              79,
              7,
              151,
              71,
              77,
              23,
              22,
              63,
              99,
              59,
              66,
              73,
              113,
              55,
              85,
              45,
              95,
              10,
              57,
              19,
              121,
              43
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "42",
          "1 -0.68",
          "10 0.45",
          "13 0.2",
          "14 -0.28",
          "16 -0.29",
          "17 0.14",
          "18 -0.29",
          "19 -0.14",
          "2 -0.57",
          "20 0.42",
          "21 0.14",
          "22 -0.15",
          "23 0.14",
          "24 0.42",
          "25 0.14",
          "26 0.14",
          "27 -0.29",
          "28 -0.29",
          "29 -0.29",
          "3 -0.43",
          "31 -0.29",
          "33 -0.14",
          "34 -0.15",
          "35 -0.14",
          "36 0.71",
          "37 0.14",
          "4 -0.68",
          "5 -0.57",
          "50 0.4",
          "54 0.15",
          "58 0.15",
          "6 0.28",
          "63 0.15",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "76 0.15",
          "8 0.06",
          "80 0.15",
          "81 0.15",
          "82 0.4",
          "9 0.14"
        }
      },
      {
        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 {
          "15",
          "1 1 acceptor",
          "1 1 donor",
          "1 11 hydrophobe",
          "1 12 hydrophobe",
          "1 15 hydrophobe",
          "1 17 hydrophobe",
          "1 2 acceptor",
          "1 26 hydrophobe",
          "1 32 hydrophobe",
          "1 37 hydrophobe",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "4 21 25 27 28 hydrophobe",
          "6 3 23 24 31 35 36 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 7,
      atom-chiral-def 7,
      atom-chiral-undef 0,
      bond-chiral 5,
      bond-chiral-def 5,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 7
    }
  }
}