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              340,
              289,
              80,
              268,
              255,
              109,
              296,
              213,
              84,
              181,
              10,
              172,
              287,
              23,
              91,
              179,
              316,
              195,
              324,
              86,
              294,
              236,
              182,
              277,
              27,
              329,
              135,
              17,
              111,
              327,
              31,
              94,
              349,
              144,
              126,
              8,
              44,
              4,
              33,
              188,
              62,
              163,
              32,
              68,
              127,
              165,
              348,
              193,
              72,
              175,
              240,
              65,
              143,
              77,
              204
            }
          }
        }
      }
    },
    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 {
          "50",
          "1 -0.19",
          "10 0.18",
          "11 0.3",
          "12 -0.18",
          "15 -0.33",
          "16 0.48",
          "17 0.3",
          "18 0.3",
          "2 -0.19",
          "20 -0.15",
          "21 0.28",
          "22 0.54",
          "23 -0.15",
          "24 0.54",
          "25 -0.15",
          "26 -0.15",
          "27 0.09",
          "28 0.08",
          "29 0.09",
          "3 -0.68",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.19",
          "35 -0.15",
          "36 0.19",
          "37 -0.15",
          "38 -0.15",
          "39 0.28",
          "4 -0.57",
          "40 -0.15",
          "5 -0.57",
          "52 0.27",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.4",
          "59 0.15",
          "6 -0.36",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "69 0.15",
          "7 -0.66",
          "8 -0.66",
          "9 0.03"
        }
      },
      {
        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 { 76, 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 5 acceptor",
          "1 6 acceptor",
          "1 9 cation",
          "1 9 donor",
          "5 9 12 15 19 20 rings",
          "6 19 20 23 25 26 28 rings",
          "6 27 30 31 34 35 38 rings",
          "6 29 32 33 36 37 40 rings",
          "6 7 10 11 12 15 16 rings",
          "6 8 10 13 14 17 18 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 1
    }
  }
}