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              100,
              48,
              99,
              83,
              195,
              11,
              23,
              145,
              200,
              86,
              46,
              17,
              198,
              87,
              88,
              120,
              194,
              29,
              176,
              178,
              81,
              168,
              180,
              51,
              69,
              150,
              208,
              152,
              177,
              103,
              130,
              13,
              196,
              55,
              94,
              142,
              116,
              122,
              40,
              127,
              204,
              175,
              33,
              212,
              133,
              206,
              147,
              98,
              170,
              182,
              132,
              5,
              18,
              124,
              207,
              111,
              96,
              3,
              16,
              165,
              140,
              97,
              160,
              137,
              57,
              138,
              172,
              38,
              135,
              109,
              74,
              128,
              39,
              162,
              153,
              214,
              123,
              68,
              8,
              129
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "45",
          "1 -0.12",
          "10 -0.81",
          "11 -0.73",
          "12 0.05",
          "13 -0.41",
          "14 0.3",
          "17 0.27",
          "18 0.27",
          "19 0.27",
          "2 -0.08",
          "20 0.28",
          "28 0.71",
          "29 -0.24",
          "3 -0.43",
          "30 -0.15",
          "31 -0.15",
          "33 0.44",
          "34 0.09",
          "35 -0.15",
          "36 0.87",
          "37 0.11",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 0.63",
          "41 0.56",
          "42 -0.15",
          "43 0.14",
          "45 0.04",
          "46 -0.15",
          "47 -0.15",
          "48 0.16",
          "5 -0.43",
          "59 0.37",
          "6 -0.43",
          "7 -0.57",
          "77 0.15",
          "8 -0.02",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "84 0.15",
          "88 0.15",
          "89 0.15",
          "9 -0.57"
        }
      },
      {
        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 { 164, 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 {
          "13",
          "1 10 cation",
          "1 11 donor",
          "1 12 cation",
          "1 13 acceptor",
          "1 4 acceptor",
          "1 9 acceptor",
          "3 19 21 22 hydrophobe",
          "5 12 29 30 31 32 rings",
          "5 2 45 46 47 48 rings",
          "5 8 13 37 42 43 rings",
          "6 10 14 15 16 17 18 rings",
          "6 20 23 24 25 26 27 rings",
          "6 30 32 34 35 38 39 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      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
    }
  }
}