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              170,
              237,
              78,
              204,
              53,
              132,
              77,
              44,
              76,
              155,
              129,
              13,
              111,
              32,
              18,
              68,
              227,
              82,
              88,
              177,
              234,
              163,
              112,
              46,
              224,
              60,
              58,
              25,
              140,
              65,
              200,
              85,
              126,
              23,
              9,
              10,
              17,
              116,
              214,
              30,
              72,
              102,
              208,
              186,
              118,
              1,
              61,
              84,
              144,
              11,
              189,
              151,
              121,
              49,
              97,
              2,
              239,
              36,
              12,
              5,
              103,
              198,
              35,
              153
            }
          }
        }
      }
    },
    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 {
          "57",
          "1 -0.57",
          "11 0.27",
          "12 0.27",
          "13 0.57",
          "14 0.33",
          "15 0.27",
          "16 0.14",
          "17 0.57",
          "18 0.3",
          "19 -0.14",
          "2 -0.57",
          "20 0.18",
          "21 0.3",
          "22 -0.18",
          "23 -0.15",
          "24 -0.15",
          "27 -0.3",
          "28 -0.15",
          "29 -0.15",
          "3 -0.81",
          "30 -0.15",
          "31 0.14",
          "32 -0.15",
          "33 -0.15",
          "34 -0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.9",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "5 -0.73",
          "51 0.36",
          "58 0.37",
          "6 -0.73",
          "63 0.37",
          "66 0.15",
          "67 0.15",
          "7 0.03",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "75 0.15",
          "76 0.27",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 0.33",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "85 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 { 162, 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 {
          "14",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 cation",
          "1 4 cation",
          "1 4 donor",
          "1 5 donor",
          "1 6 donor",
          "1 7 cation",
          "1 7 donor",
          "5 7 22 26 27 30 rings",
          "6 19 23 24 28 29 32 rings",
          "6 26 30 33 35 36 37 rings",
          "6 3 8 9 10 11 12 rings",
          "6 34 38 39 40 41 42 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}