PC-Compounds ::= {
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              83,
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              481,
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              57,
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              7,
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              49,
              357,
              370,
              142,
              14,
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              27,
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              45,
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              2,
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            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "17",
          "1 -0.68",
          "10 -0.14",
          "11 0.14",
          "13 -0.29",
          "16 -0.15",
          "18 -0.15",
          "20 -0.14",
          "21 0.14",
          "24 -0.28",
          "25 0.28",
          "26 0.14",
          "28 0.14",
          "4 0.14",
          "45 0.15",
          "51 0.15",
          "54 0.15",
          "72 0.4"
        }
      },
      {
        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 { 88, 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 {
          "8",
          "1 1 acceptor",
          "1 1 donor",
          "1 14 hydrophobe",
          "3 19 22 23 hydrophobe",
          "5 2 3 4 5 6 rings",
          "5 8 12 15 17 19 hydrophobe",
          "6 2 4 7 10 11 13 rings",
          "6 20 21 24 25 26 27 rings"
        }
      }
    },
    count {
      heavy-atom 28,
      atom-chiral 5,
      atom-chiral-def 0,
      atom-chiral-undef 5,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}