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              72,
              39,
              26,
              57,
              11,
              63,
              91,
              68,
              24,
              18,
              74,
              85,
              92,
              94,
              17,
              64,
              93,
              81,
              33,
              35,
              3,
              55,
              10,
              45,
              83,
              31,
              61,
              6,
              76,
              2,
              30,
              80,
              27,
              62,
              77,
              13,
              36,
              56,
              21,
              4,
              44,
              8,
              52,
              96,
              34,
              15,
              86,
              82,
              16,
              89,
              97,
              66,
              9,
              50,
              65,
              32,
              54,
              12,
              67,
              28,
              42,
              90,
              51,
              37,
              23,
              7,
              59,
              19,
              38,
              49,
              71,
              48,
              20
            }
          }
        }
      }
    },
    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 0.37",
          "11 -0.14",
          "12 0.3",
          "13 0.41",
          "14 -0.14",
          "18 0.27",
          "2 -0.5",
          "21 0.27",
          "23 0.19",
          "24 0.31",
          "25 0.2",
          "26 -0.15",
          "27 0.41",
          "28 0.4",
          "29 0.28",
          "3 -0.68",
          "30 0.54",
          "35 -0.14",
          "36 -0.2",
          "37 -0.15",
          "38 -0.15",
          "39 0.07",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.07",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "46 -0.15",
          "47 -0.15",
          "5 -0.6",
          "6 -0.81",
          "7 -0.73",
          "71 0.15",
          "72 0.37",
          "8 -0.62",
          "86 0.15",
          "87 0.15",
          "88 0.4",
          "89 0.15",
          "9 0.41",
          "90 0.15",
          "91 0.15",
          "92 0.15",
          "93 0.15",
          "94 0.15",
          "95 0.15"
        }
      },
      {
        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 { 136, 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 {
          "13",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 6 cation",
          "1 7 donor",
          "1 8 acceptor",
          "4 23 32 33 34 hydrophobe",
          "5 10 15 16 19 20 rings",
          "5 5 9 11 13 14 rings",
          "5 6 12 17 18 21 rings",
          "6 31 37 38 39 43 44 rings",
          "6 35 40 41 45 46 47 rings",
          "6 8 11 14 24 26 28 rings"
        }
      }
    },
    count {
      heavy-atom 47,
      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 2
    }
  }
}