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              269,
              180,
              222,
              109,
              207,
              59,
              195,
              244,
              203,
              150,
              189,
              173,
              250,
              94,
              107,
              172,
              197,
              226,
              188,
              17,
              176,
              75,
              169,
              50,
              156,
              77,
              292,
              228,
              45,
              193,
              134,
              40,
              65,
              41,
              154,
              253,
              288,
              210,
              274,
              153,
              31,
              132,
              142,
              7,
              103,
              221,
              19,
              99,
              130,
              63,
              27,
              236,
              293,
              289,
              211,
              56,
              112,
              148,
              102,
              34,
              100,
              12,
              128,
              157,
              43,
              39,
              32,
              68,
              4,
              78,
              186,
              127,
              230,
              6,
              149,
              20,
              11,
              10,
              200,
              175,
              242,
              164,
              46,
              76,
              14,
              205,
              111,
              60,
              234,
              58,
              16,
              36,
              30,
              2,
              86,
              9,
              141,
              147,
              202,
              106,
              196,
              24,
              69,
              281,
              239,
              21,
              3,
              26,
              116,
              47,
              121,
              62,
              294,
              140,
              167,
              89,
              44,
              143,
              13,
              179,
              265,
              18,
              123,
              287,
              283,
              137,
              5
            }
          }
        }
      }
    },
    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 {
          "39",
          "1 -0.34",
          "10 -0.62",
          "11 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.27",
          "18 0.3",
          "19 0.3",
          "2 -0.34",
          "21 0.41",
          "23 0.28",
          "24 0.54",
          "25 -0.14",
          "26 0.09",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.34",
          "30 -0.15",
          "31 0.17",
          "32 0.17",
          "33 -0.14",
          "34 0.28",
          "35 0.14",
          "36 0.14",
          "37 1.16",
          "38 0.47",
          "4 -0.56",
          "5 -0.57",
          "6 -0.81",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "7 -0.81",
          "76 0.15",
          "8 -0.66",
          "9 -0.62"
        }
      },
      {
        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 { 104, 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 {
          "10",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 cation",
          "1 9 acceptor",
          "3 9 10 38 cation",
          "6 25 27 28 29 30 33 rings",
          "6 6 7 14 15 16 17 rings",
          "6 8 11 12 13 18 19 rings",
          "6 9 10 26 31 32 38 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}