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              79,
              104,
              19,
              122,
              234,
              207,
              169,
              53,
              106,
              31,
              42,
              216,
              15,
              38,
              97,
              181,
              218,
              186,
              244,
              28,
              196,
              65,
              175,
              178,
              151,
              85,
              230,
              59,
              129,
              120,
              4,
              201,
              138,
              231,
              76,
              173,
              239,
              212,
              206,
              50,
              121,
              236,
              161,
              70,
              91,
              232,
              114,
              209,
              143,
              107,
              56,
              89,
              43,
              67,
              184,
              185,
              165,
              64,
              20,
              194,
              155,
              26,
              228,
              200,
              198,
              199,
              195,
              205,
              152,
              35,
              134,
              192,
              6,
              180,
              162,
              203,
              78,
              90,
              125,
              82,
              187,
              34,
              92,
              193,
              219,
              66,
              40,
              16,
              27,
              229,
              83,
              47,
              126,
              52,
              130,
              174,
              221,
              101,
              95,
              63,
              213,
              124,
              220,
              240,
              208,
              215,
              159,
              123
            }
          }
        }
      }
    },
    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 {
          "52",
          "1 -0.34",
          "10 -0.55",
          "12 0.28",
          "13 0.3",
          "14 0.27",
          "15 0.3",
          "17 0.57",
          "18 0.2",
          "19 0.08",
          "2 -0.34",
          "20 -0.14",
          "21 0.28",
          "23 0.41",
          "24 0.27",
          "25 -0.15",
          "26 -0.15",
          "27 -0.14",
          "28 0.12",
          "29 -0.15",
          "3 -0.34",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "35 0.57",
          "37 0.06",
          "39 -0.15",
          "4 -0.36",
          "40 -0.15",
          "41 1.02",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "5 -0.57",
          "6 -0.68",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "70 0.4",
          "71 0.15",
          "72 0.15",
          "73 0.37",
          "74 0.15",
          "75 0.15",
          "8 -0.66",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 132, 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 10 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 9 cation",
          "6 19 20 25 26 28 29 rings",
          "6 27 30 31 32 33 34 rings",
          "6 36 39 40 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}