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              163,
              148,
              73,
              276,
              210,
              119,
              71,
              313,
              274,
              114,
              107,
              103,
              275,
              12,
              278,
              151,
              323,
              187,
              263,
              125,
              21,
              75,
              157,
              190,
              90,
              77,
              239,
              35,
              67,
              301,
              175,
              279,
              112,
              68,
              85,
              233,
              186,
              216,
              38,
              124,
              10,
              131,
              270,
              69,
              198,
              135,
              36,
              74,
              96,
              34,
              32,
              212,
              99,
              250,
              94,
              30,
              117,
              138,
              53,
              6,
              248,
              7,
              89,
              185,
              254,
              140,
              251,
              191,
              97,
              126,
              54,
              26,
              264
            }
          }
        }
      }
    },
    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 {
          "48",
          "1 -0.2",
          "13 0.27",
          "15 0.3",
          "16 0.54",
          "17 0.09",
          "18 0.12",
          "19 -0.15",
          "2 -0.57",
          "20 0.44",
          "21 0.1",
          "22 -0.15",
          "23 -0.15",
          "24 0.62",
          "25 -0.14",
          "26 0.12",
          "27 -0.15",
          "28 -0.15",
          "29 -0.18",
          "3 -0.57",
          "30 -0.14",
          "31 -0.15",
          "32 -0.15",
          "33 0.03",
          "34 0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.81",
          "5 -0.73",
          "58 0.37",
          "59 0.15",
          "6 -0.48",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "7 0.27",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "8 0.27"
        }
      },
      {
        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 { 108, 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 {
          "9",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 cation",
          "1 5 donor",
          "6 1 6 18 21 24 26 rings",
          "6 17 18 19 21 22 23 rings",
          "6 25 27 28 30 31 32 rings",
          "6 33 35 36 37 38 39 rings",
          "7 4 7 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}