PC-Compounds ::= {
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              5,
              76,
              7
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "26",
          "1 -0.18",
          "10 0.3",
          "12 0.3",
          "13 0.3",
          "14 0.43",
          "16 0.57",
          "19 0.78",
          "2 -0.57",
          "20 0.1",
          "21 0.28",
          "25 -0.15",
          "26 -0.15",
          "27 0.18",
          "28 -0.15",
          "29 -0.15",
          "3 -0.43",
          "4 -0.57",
          "48 0.4",
          "5 -0.66",
          "58 0.15",
          "59 0.15",
          "6 -0.66",
          "60 0.15",
          "61 0.15",
          "7 -0.87",
          "8 0.3"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 82, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "8",
          "1 2 acceptor",
          "1 4 acceptor",
          "1 7 cation",
          "1 7 donor",
          "4 21 22 23 24 hydrophobe",
          "6 20 25 26 27 28 29 rings",
          "6 5 13 14 15 16 18 rings",
          "6 6 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 29,
      atom-chiral 3,
      atom-chiral-def 2,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}