PC-Compounds ::= {
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      tetrahedral {
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              120,
              34,
              9,
              88,
              12,
              61,
              113,
              67,
              22,
              25,
              37,
              10,
              147,
              15,
              11,
              26,
              135,
              8,
              45,
              30,
              56,
              16,
              2,
              14,
              96,
              163,
              49,
              5,
              47,
              169,
              13,
              6,
              7,
              3,
              4
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "53",
          "1 -0.56",
          "10 -0.68",
          "11 -0.16",
          "12 -0.57",
          "13 -0.53",
          "14 -0.53",
          "15 0.28",
          "16 0.28",
          "17 0.28",
          "18 0.28",
          "19 0.28",
          "2 -0.56",
          "20 0.28",
          "21 0.28",
          "22 0.28",
          "23 0.56",
          "24 0.56",
          "27 0.09",
          "28 0.08",
          "29 0.09",
          "3 -0.36",
          "30 0.47",
          "31 0.08",
          "32 0.05",
          "33 -0.15",
          "34 -0.15",
          "35 0.08",
          "36 0.03",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.36",
          "40 -0.15",
          "41 0.08",
          "5 -0.68",
          "58 0.4",
          "59 0.4",
          "6 -0.68",
          "60 0.4",
          "61 0.4",
          "62 0.4",
          "63 0.4",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.45",
          "69 0.15",
          "7 -0.68",
          "70 0.15",
          "71 0.45",
          "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 { 74, 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 {
          "25",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 12 acceptor",
          "1 13 donor",
          "1 14 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 5 donor",
          "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 15 16 19 20 23 rings",
          "6 11 27 29 30 31 32 rings",
          "6 2 17 18 21 22 24 rings",
          "6 28 29 31 33 34 35 rings",
          "6 36 37 38 39 40 41 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 10,
      atom-chiral-def 10,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 21
    }
  }
}