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              19,
              158,
              212,
              277,
              286,
              205,
              140,
              301,
              41,
              270,
              88,
              294,
              109,
              291,
              370,
              322,
              147,
              84,
              242,
              289,
              42,
              262,
              355,
              131,
              89,
              211,
              374,
              150,
              373,
              14,
              314,
              90,
              10,
              154,
              325,
              15,
              168,
              364,
              290,
              274,
              313,
              347,
              144,
              26,
              178,
              383,
              153,
              59,
              114,
              359,
              259,
              339,
              266,
              323,
              172,
              360,
              54,
              98,
              104,
              111,
              136,
              85,
              224,
              126,
              378,
              63,
              146,
              53,
              165,
              327,
              312,
              108,
              145,
              174,
              200,
              276,
              44,
              292,
              102,
              335,
              74,
              163,
              13,
              182,
              119,
              78,
              269,
              281,
              175,
              28,
              118,
              315,
              57,
              287,
              376,
              125,
              120,
              6,
              243,
              23,
              231,
              36,
              195,
              149,
              316,
              129,
              275,
              225,
              245,
              176,
              232,
              222,
              97,
              338,
              123,
              134,
              336,
              46,
              31,
              309,
              161,
              139,
              17,
              377,
              272,
              303,
              173,
              192,
              257,
              361,
              12,
              298,
              317,
              190,
              201,
              116,
              86,
              218,
              384,
              230,
              170,
              213,
              250,
              375,
              189,
              30,
              198,
              206,
              62,
              341,
              208,
              181,
              69,
              133,
              80,
              9,
              202,
              21,
              235,
              7,
              180,
              107,
              267,
              188,
              93,
              237,
              68,
              293,
              100,
              71,
              348,
              72,
              67,
              308,
              106,
              233,
              216,
              160,
              238,
              379,
              18,
              64,
              367,
              357,
              271,
              157,
              143,
              49,
              113,
              255,
              112,
              45,
              24,
              43,
              385,
              258,
              55,
              25,
              264,
              11,
              122,
              252,
              4,
              40,
              251,
              194,
              50,
              96,
              209,
              2,
              91,
              204,
              191,
              39,
              34,
              79,
              65,
              299,
              234,
              105,
              22,
              20
            }
          }
        }
      }
    },
    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 {
          "47",
          "1 -0.19",
          "10 0.06",
          "11 0.14",
          "13 0.3",
          "14 0.3",
          "15 0.57",
          "17 0.3",
          "18 -0.14",
          "19 0.3",
          "2 -0.57",
          "20 0.57",
          "21 -0.15",
          "22 -0.15",
          "25 0.36",
          "26 0.18",
          "27 -0.15",
          "28 -0.15",
          "29 0.19",
          "3 -0.57",
          "30 -0.18",
          "31 0.57",
          "33 0.33",
          "34 -0.3",
          "35 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "5 -0.66",
          "54 0.15",
          "55 0.15",
          "6 -0.66",
          "65 0.15",
          "66 0.15",
          "67 0.37",
          "68 0.15",
          "69 0.27",
          "7 -0.73",
          "76 0.15",
          "77 0.36",
          "78 0.36",
          "79 0.15",
          "8 0.03",
          "80 0.15",
          "81 0.15",
          "9 -0.99"
        }
      },
      {
        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 { 106, 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 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 7 donor",
          "1 8 cation",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "3 19 23 24 hydrophobe",
          "3 33 36 37 hydrophobe",
          "5 5 10 11 14 15 rings",
          "5 8 30 32 34 35 rings",
          "6 18 21 22 27 28 29 rings",
          "6 32 35 38 39 40 41 rings",
          "6 6 10 12 13 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 3,
      atom-chiral-def 1,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}