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              30,
              23,
              67,
              99,
              71,
              18,
              95,
              32,
              82,
              14,
              59,
              83,
              21,
              107,
              43,
              137,
              134,
              132,
              29,
              77,
              139,
              156,
              61,
              94,
              121,
              119,
              22,
              72,
              126,
              131,
              78,
              115,
              141,
              101,
              2,
              151,
              6,
              45,
              142,
              116,
              104,
              122,
              124,
              62,
              12,
              153,
              97,
              155,
              75,
              50,
              34,
              28,
              37,
              109,
              31,
              128,
              4,
              103,
              68,
              144,
              27,
              149,
              88,
              146,
              39,
              69,
              8,
              125,
              148,
              70,
              7,
              24,
              56,
              33,
              114,
              47,
              147,
              79,
              3,
              108,
              53,
              16,
              58,
              9,
              76,
              1,
              113,
              66,
              54,
              127,
              15,
              10,
              81,
              85,
              19,
              20,
              80
            }
          }
        }
      }
    },
    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 -0.57",
          "10 0.33",
          "13 0.3",
          "14 0.3",
          "15 0.3",
          "16 0.57",
          "19 0.33",
          "2 -0.43",
          "23 0.14",
          "24 0.78",
          "25 0.57",
          "26 -0.14",
          "27 0.28",
          "28 0.3",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "34 0.18",
          "35 -0.15",
          "36 -0.15",
          "37 -0.18",
          "38 -0.15",
          "4 -0.57",
          "40 -0.3",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "5 -0.9",
          "55 0.36",
          "6 -0.66",
          "60 0.37",
          "7 -0.73",
          "70 0.37",
          "73 0.15",
          "74 0.15",
          "8 -0.73",
          "86 0.15",
          "87 0.15",
          "88 0.15",
          "89 0.15",
          "9 0.03",
          "90 0.27",
          "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 { 174, 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 {
          "15",
          "1 1 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 5 donor",
          "1 7 donor",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "4 27 31 32 33 hydrophobe",
          "5 9 37 39 40 41 rings",
          "6 13 17 18 20 21 22 rings",
          "6 26 29 30 35 36 38 rings",
          "6 39 41 42 43 44 45 rings",
          "6 6 10 11 12 14 15 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      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
    }
  }
}