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              63,
              453,
              42,
              452,
              405,
              236,
              442,
              379,
              343,
              430,
              105,
              44,
              256,
              390,
              171,
              287,
              187,
              344,
              246,
              300,
              96,
              132,
              281,
              240,
              409,
              288,
              220,
              421,
              20,
              64,
              431,
              58,
              428,
              207,
              167,
              194,
              398,
              55,
              183,
              26,
              298,
              46,
              274,
              349,
              28,
              180,
              19,
              255,
              334,
              426,
              199,
              419,
              402,
              142,
              235,
              249,
              178,
              418,
              43,
              237,
              49,
              71,
              359,
              406,
              264,
              152,
              136,
              234,
              12,
              111,
              56,
              209,
              293,
              221,
              241,
              104,
              387,
              331,
              384,
              82,
              125,
              324,
              305,
              206,
              318,
              103,
              133,
              211,
              436,
              210,
              45,
              177,
              399,
              109,
              7,
              156,
              243,
              174,
              6,
              247,
              434,
              117,
              280,
              15,
              400,
              11,
              338,
              21,
              4,
              13,
              5,
              380,
              25,
              441,
              3,
              2,
              119,
              127,
              173,
              223,
              110
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "46",
          "1 -0.12",
          "10 -0.81",
          "11 -0.73",
          "12 0.31",
          "13 -0.71",
          "14 -0.41",
          "15 0.3",
          "18 0.27",
          "19 0.27",
          "2 -0.08",
          "20 0.27",
          "23 0.72",
          "24 0.2",
          "26 -0.15",
          "27 -0.15",
          "28 0.44",
          "29 -0.15",
          "3 -0.57",
          "30 0.09",
          "31 -0.15",
          "32 0.11",
          "33 0.63",
          "34 -0.15",
          "35 0.14",
          "36 0.04",
          "37 0.42",
          "38 -0.06",
          "39 -0.15",
          "4 -0.43",
          "40 -0.06",
          "41 -0.15",
          "42 0.16",
          "43 0.14",
          "44 0.87",
          "5 -0.02",
          "55 0.37",
          "6 -0.57",
          "62 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "7 -0.23",
          "70 0.15",
          "71 0.15",
          "8 -0.23",
          "9 -0.57"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 122, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "13",
          "1 10 cation",
          "1 11 donor",
          "1 13 acceptor",
          "1 14 acceptor",
          "1 3 acceptor",
          "1 6 acceptor",
          "3 20 21 22 hydrophobe",
          "5 12 13 24 25 26 rings",
          "5 2 36 39 41 42 rings",
          "5 5 14 32 34 35 rings",
          "5 7 8 38 40 44 rings",
          "6 10 15 16 17 18 19 rings",
          "6 25 26 27 29 30 31 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}