PC-Compounds ::= {
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    id {
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      tetrahedral {
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      tetrahedral {
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      tetrahedral {
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      tetrahedral {
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      tetrahedral {
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              37,
              66,
              68,
              144,
              211,
              194,
              123,
              109
            }
          }
        }
      }
    },
    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 -0.56",
          "10 -0.68",
          "11 -0.68",
          "12 -0.68",
          "13 -0.68",
          "14 -0.68",
          "15 -0.68",
          "16 -0.68",
          "17 0.28",
          "18 0.28",
          "19 0.28",
          "2 -0.56",
          "20 0.28",
          "21 0.56",
          "22 0.28",
          "23 0.56",
          "24 0.28",
          "25 0.28",
          "26 0.28",
          "27 0.28",
          "28 0.28",
          "29 0.28",
          "3 -0.56",
          "30 0.28",
          "31 0.28",
          "32 0.56",
          "33 0.28",
          "34 0.28",
          "4 -0.56",
          "5 -0.56",
          "54 0.4",
          "55 0.4",
          "58 0.4",
          "59 0.4",
          "6 -0.68",
          "60 0.4",
          "61 0.4",
          "62 0.4",
          "63 0.4",
          "64 0.4",
          "65 0.4",
          "66 0.4",
          "7 -0.68",
          "8 -0.68",
          "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 { 106, 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 {
          "30",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 11 donor",
          "1 12 acceptor",
          "1 12 donor",
          "1 13 acceptor",
          "1 13 donor",
          "1 14 acceptor",
          "1 14 donor",
          "1 15 acceptor",
          "1 15 donor",
          "1 16 acceptor",
          "1 16 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "6 1 17 18 19 20 21 rings",
          "6 4 23 26 27 28 30 rings",
          "6 5 22 24 25 29 32 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 15,
      atom-chiral-def 13,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}