PC-Compounds ::= {
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          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
              1,
              38,
              20,
              15,
              21,
              18,
              11,
              35,
              43,
              14,
              31,
              22,
              19,
              6,
              41,
              16,
              39,
              7,
              12,
              13,
              4,
              26,
              9,
              8,
              42,
              29,
              33,
              2,
              3,
              36,
              44,
              17,
              23,
              5,
              37,
              34,
              27,
              40,
              32,
              10,
              24,
              25,
              30,
              28
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "50",
          "1 -0.56",
          "10 0.42",
          "12 0.34",
          "13 0.28",
          "15 0.2",
          "16 -0.12",
          "17 0.45",
          "18 -0.29",
          "19 0.14",
          "2 -0.36",
          "22 0.47",
          "23 0.08",
          "24 0.09",
          "25 -0.29",
          "26 -0.14",
          "27 0.08",
          "28 -0.12",
          "29 0.08",
          "3 -0.57",
          "30 0.03",
          "31 0.28",
          "32 0.14",
          "33 -0.18",
          "34 0.71",
          "35 0.42",
          "36 -0.29",
          "37 -0.29",
          "39 0.66",
          "4 -0.57",
          "41 -0.28",
          "42 0.14",
          "43 0.06",
          "44 0.14",
          "45 0.14",
          "46 -0.29",
          "47 -0.28",
          "48 0.14",
          "49 0.14",
          "5 -0.23",
          "54 0.15",
          "6 -0.36",
          "63 0.15",
          "69 0.15",
          "7 -0.65",
          "70 0.15",
          "71 0.15",
          "77 0.5",
          "8 -0.57",
          "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 { 112, 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 {
          "17",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 32 hydrophobe",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "10 1 10 11 12 13 14 15 16 17 18 rings",
          "3 13 20 21 hydrophobe",
          "3 41 44 45 hydrophobe",
          "3 47 48 49 hydrophobe",
          "3 7 8 34 anion",
          "6 2 10 16 22 23 24 rings",
          "6 23 24 26 27 29 30 rings",
          "6 6 29 30 33 35 37 rings"
        }
      }
    },
    count {
      heavy-atom 49,
      atom-chiral 5,
      atom-chiral-def 1,
      atom-chiral-undef 4,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}