PC-Compounds ::= {
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              5,
              2,
              3
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "27",
          "1 -0.57",
          "11 0.06",
          "14 -0.28",
          "15 0.28",
          "2 -0.57",
          "23 0.49",
          "26 -0.14",
          "27 0.06",
          "28 0.52",
          "3 -0.57",
          "30 -0.29",
          "33 0.49",
          "34 0.08",
          "37 -0.3",
          "38 0.04",
          "39 0.49",
          "4 0.29",
          "40 0.08",
          "5 -0.57",
          "6 -0.56",
          "64 0.15",
          "68 0.15",
          "8 0.14",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "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 { 38, 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 {
          "12",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 6 acceptor",
          "3 20 31 32 hydrophobe",
          "3 27 35 36 hydrophobe",
          "5 4 5 37 38 40 rings",
          "6 10 11 17 19 20 24 rings",
          "6 15 18 27 30 33 34 rings",
          "6 7 8 9 14 23 26 rings",
          "6 7 9 10 11 12 13 rings",
          "6 8 14 15 16 18 21 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 7,
      atom-chiral-def 7,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}