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              name "RMSD",
              datatype double,
              release "2012.05.21"
            },
            value fval { 14, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.05.21"
            },
            value ivec {
              5,
              54,
              14,
              84,
              59,
              23,
              77,
              1,
              32,
              37,
              18,
              51,
              6,
              61,
              69,
              43,
              35,
              80,
              88,
              81,
              71,
              49,
              25,
              72,
              75,
              78,
              15,
              56,
              2,
              65,
              21,
              7,
              50,
              34,
              24,
              83,
              57,
              36,
              44,
              74,
              79,
              42,
              82,
              30,
              47,
              3,
              10,
              55,
              53,
              76,
              41,
              67,
              31,
              38,
              52,
              90,
              16,
              26,
              89,
              8,
              64,
              87,
              46,
              13,
              27,
              40,
              60,
              19,
              66,
              9,
              29,
              20,
              70,
              39,
              28,
              85,
              58,
              22,
              11,
              62,
              4,
              68,
              63,
              17,
              86,
              33,
              45,
              73,
              12,
              48
            }
          }
        }
      }
    },
    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 {
          "37",
          "1 -0.18",
          "10 0.33",
          "12 0.27",
          "15 0.27",
          "16 0.57",
          "17 0.36",
          "2 -0.57",
          "21 0.44",
          "22 0.57",
          "26 -0.29",
          "27 0.3",
          "28 0.3",
          "29 0.3",
          "3 -0.57",
          "30 0.37",
          "31 0.37",
          "34 -0.12",
          "35 0.62",
          "36 0.1",
          "37 0.14",
          "38 0.18",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "5 -0.81",
          "54 0.37",
          "6 -0.73",
          "7 -0.66",
          "70 0.15",
          "8 -0.66",
          "9 -0.84",
          "91 0.15",
          "92 0.15",
          "93 0.15",
          "94 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 { 154, 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 2 acceptor",
          "1 3 acceptor",
          "1 37 hydrophobe",
          "1 4 acceptor",
          "1 5 cation",
          "1 6 donor",
          "1 9 cation",
          "3 15 18 19 hydrophobe",
          "3 20 24 25 hydrophobe",
          "3 23 32 33 hydrophobe",
          "6 36 38 39 40 41 42 rings",
          "6 5 10 11 12 13 14 rings",
          "6 8 9 27 28 30 31 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}