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              162,
              326,
              367,
              371,
              109,
              231,
              354,
              34,
              161,
              329,
              389,
              21,
              259,
              308,
              189,
              333,
              169,
              2,
              226,
              188,
              217,
              112,
              68,
              47,
              374,
              375,
              395,
              225,
              11,
              80,
              289,
              235,
              251,
              153,
              84,
              42,
              101,
              416,
              91,
              391,
              248,
              353,
              343,
              119,
              187,
              361,
              381,
              306,
              315,
              127,
              318,
              78,
              344,
              373,
              254,
              172,
              89,
              410,
              6,
              334,
              50,
              195,
              177,
              110,
              234,
              210,
              296,
              179,
              150,
              220,
              380,
              228,
              137,
              203,
              388,
              224,
              147,
              145,
              24,
              121,
              96,
              336,
              44,
              123,
              13,
              415,
              92,
              173,
              360,
              266,
              99,
              38,
              237,
              293,
              394,
              320,
              305,
              37,
              386,
              176,
              401,
              90,
              69,
              86,
              337,
              313,
              157,
              144,
              284,
              171,
              156,
              48,
              384,
              35,
              419,
              279,
              413,
              323,
              243,
              33,
              129,
              160,
              88,
              175,
              25,
              64,
              297,
              10,
              265,
              272,
              355,
              183,
              165,
              310,
              202,
              290,
              72,
              31,
              338,
              134,
              98,
              125,
              409,
              316,
              262,
              41,
              212,
              118,
              201,
              174,
              83,
              211,
              70,
              102,
              54,
              412,
              393,
              146,
              286,
              116,
              43,
              209,
              164,
              221,
              97,
              143,
              105,
              245,
              95,
              117,
              62,
              79,
              5,
              366,
              199,
              107,
              103,
              208,
              299,
              230,
              314,
              12,
              257,
              167,
              4,
              74,
              135,
              218,
              263,
              324,
              253,
              277,
              242,
              271,
              370,
              274,
              166,
              205,
              120,
              159,
              52,
              206,
              346,
              49,
              26,
              339,
              213,
              152,
              139,
              342,
              77,
              82,
              76,
              115,
              363,
              23,
              20,
              307,
              85,
              282,
              40,
              36,
              352,
              322,
              67,
              19,
              288,
              9,
              65,
              136,
              238,
              55,
              57,
              39,
              250,
              128,
              319,
              18,
              58,
              122,
              56,
              30,
              232,
              59,
              331,
              113,
              350,
              278,
              335,
              399,
              7,
              227,
              309,
              303,
              236,
              73,
              3,
              197,
              53,
              347,
              301,
              93,
              269,
              133,
              28,
              317,
              155,
              408,
              255,
              75,
              14,
              204,
              207,
              385,
              222
            }
          }
        }
      }
    },
    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 0.36",
          "22 -0.15",
          "23 -0.15",
          "26 0.18",
          "27 -0.15",
          "28 -0.15",
          "29 -0.18",
          "3 -0.57",
          "30 0.19",
          "32 0.57",
          "34 -0.3",
          "35 0.33",
          "36 -0.15",
          "37 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "5 -0.66",
          "56 0.15",
          "57 0.15",
          "6 -0.66",
          "65 0.15",
          "66 0.15",
          "67 0.37",
          "7 -0.73",
          "71 0.15",
          "72 0.27",
          "73 0.15",
          "8 0.03",
          "80 0.15",
          "81 0.36",
          "82 0.36",
          "83 0.15",
          "84 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 {
          "16",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 31 hydrophobe",
          "1 4 acceptor",
          "1 7 donor",
          "1 8 cation",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "3 19 24 25 hydrophobe",
          "3 35 38 39 hydrophobe",
          "5 5 10 11 14 15 rings",
          "5 8 29 33 34 36 rings",
          "6 18 22 23 27 28 30 rings",
          "6 33 36 37 40 41 42 rings",
          "6 6 10 12 13 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 4,
      atom-chiral-def 1,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}