PC-Compounds ::= {
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                value fval { 3912, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
              label "Conformer",
              name "RMSD",
              datatype double,
              release "2012.05.21"
            },
            value fval { 1, 10, 0 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.05.21"
            },
            value ivec {
              1,
              35,
              23,
              11,
              25,
              27,
              26,
              4,
              14,
              28,
              29,
              31,
              10,
              22,
              3,
              33,
              18,
              20,
              9,
              21,
              17,
              8,
              7,
              30,
              19,
              34,
              5,
              32,
              16,
              24,
              6,
              2,
              15,
              13,
              12
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "31",
          "1 -0.68",
          "10 -0.68",
          "13 0.28",
          "16 0.28",
          "19 0.14",
          "2 -0.68",
          "23 0.28",
          "26 0.28",
          "29 0.28",
          "3 -0.68",
          "30 -0.28",
          "31 0.42",
          "32 -0.14",
          "33 0.56",
          "34 0.71",
          "36 0.28",
          "37 0.28",
          "38 0.28",
          "4 -0.68",
          "5 -0.56",
          "6 -0.43",
          "65 0.4",
          "66 0.4",
          "67 0.4",
          "7 -0.56",
          "70 0.4",
          "71 0.15",
          "79 0.4",
          "8 -0.57",
          "80 0.4",
          "9 -0.68"
        }
      },
      {
        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 { 78, 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 {
          "21",
          "1 1 acceptor",
          "1 1 donor",
          "1 10 acceptor",
          "1 10 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "1 9 donor",
          "5 13 14 19 21 24 rings",
          "5 6 30 31 32 34 rings",
          "6 11 12 13 14 17 18 rings",
          "6 11 12 15 16 20 22 rings",
          "6 15 16 23 25 28 29 rings",
          "6 7 33 35 36 37 38 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 12,
      atom-chiral-def 12,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}