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              1,
              27,
              47,
              14,
              22,
              34,
              28,
              13,
              23,
              32,
              45,
              3,
              29,
              20,
              15,
              40,
              16,
              9,
              21,
              5,
              19,
              4,
              25,
              26,
              38
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "23",
          "1 1.38",
          "12 0.06",
          "17 0.06",
          "2 -0.57",
          "20 0.06",
          "22 0.45",
          "25 0.27",
          "27 0.28",
          "29 0.45",
          "3 -0.68",
          "30 0.27",
          "31 0.27",
          "32 0.34",
          "33 0.28",
          "34 0.28",
          "37 0.11",
          "4 -0.57",
          "5 -0.56",
          "6 -0.46",
          "67 0.4",
          "7 -0.65",
          "8 -0.65",
          "9 -0.81"
        }
      },
      {
        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 { 82, 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 {
          "14",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 cation",
          "3 33 35 36 hydrophobe",
          "5 13 14 17 18 23 rings",
          "6 10 11 12 15 16 19 rings",
          "6 10 12 13 14 20 22 rings",
          "6 11 15 21 24 25 27 rings",
          "6 5 9 30 31 33 34 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 9,
      atom-chiral-def 9,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 9
    }
  }
}