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              48,
              2,
              175,
              73,
              79,
              61,
              49,
              4,
              180,
              107,
              155,
              39,
              32,
              60,
              19,
              17,
              54,
              59,
              8,
              167,
              3,
              72,
              23,
              87,
              64,
              161,
              34,
              173,
              13,
              62,
              36
            }
          }
        }
      }
    },
    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 {
          "43",
          "1 -0.18",
          "10 0.33",
          "13 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.27",
          "18 0.57",
          "2 -0.18",
          "22 0.42",
          "24 0.3",
          "25 -0.14",
          "26 0.28",
          "27 0.3",
          "28 0.3",
          "29 -0.15",
          "3 -0.56",
          "30 -0.15",
          "31 0.54",
          "32 0.18",
          "33 -0.15",
          "34 0.09",
          "35 0.18",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "5 -0.57",
          "6 -0.81",
          "65 0.37",
          "7 -0.81",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.73",
          "80 0.15",
          "9 -0.66"
        }
      },
      {
        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 { 126, 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 {
          "11",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 cation",
          "1 8 donor",
          "6 25 29 30 32 33 35 rings",
          "6 3 9 22 24 26 27 rings",
          "6 34 36 37 38 39 40 rings",
          "6 6 15 16 19 20 23 rings",
          "6 7 10 11 12 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}