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              64,
              63,
              158,
              72,
              174,
              140,
              126,
              119,
              52,
              112,
              167,
              95,
              97,
              153,
              75,
              66,
              53,
              84,
              133,
              103,
              65,
              117,
              3,
              102,
              44,
              118,
              46,
              51,
              147,
              145,
              109,
              4,
              127,
              151,
              100,
              25,
              115,
              180,
              106,
              59,
              188,
              90,
              98,
              36,
              89,
              94,
              18,
              45,
              6,
              77,
              179,
              56,
              28,
              39,
              10,
              73,
              143,
              162,
              81,
              14,
              82,
              164,
              154,
              105,
              43,
              183,
              175,
              99,
              5,
              31,
              9,
              156,
              38,
              24,
              29,
              85,
              130,
              169,
              171,
              92,
              62,
              37,
              96,
              47,
              16,
              11,
              22,
              91,
              30,
              104,
              108,
              114,
              187,
              88,
              182,
              141,
              32,
              42,
              101,
              113,
              67,
              131,
              120,
              129,
              20,
              184,
              152,
              61,
              124,
              26,
              68,
              186,
              74,
              111,
              19,
              23,
              33,
              178,
              7,
              76,
              163,
              173,
              155,
              148,
              160,
              17,
              41
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "43",
          "1 -0.68",
          "10 0.14",
          "11 0.45",
          "14 0.2",
          "15 -0.28",
          "17 -0.29",
          "18 0.14",
          "19 -0.14",
          "2 -0.57",
          "20 -0.14",
          "21 0.14",
          "22 0.14",
          "23 0.42",
          "24 0.14",
          "25 -0.15",
          "26 0.14",
          "27 -0.29",
          "28 -0.29",
          "29 -0.14",
          "3 -0.43",
          "30 0.71",
          "31 -0.29",
          "34 -0.15",
          "35 -0.29",
          "36 0.14",
          "37 -0.14",
          "38 0.71",
          "4 -0.65",
          "5 -0.57",
          "52 0.4",
          "56 0.15",
          "6 -0.57",
          "60 0.15",
          "66 0.15",
          "7 0.28",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "79 0.15",
          "80 0.15",
          "83 0.15",
          "87 0.5",
          "9 0.06"
        }
      },
      {
        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 { 156, 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 {
          "16",
          "1 1 acceptor",
          "1 1 donor",
          "1 12 hydrophobe",
          "1 13 hydrophobe",
          "1 16 hydrophobe",
          "1 18 hydrophobe",
          "1 2 acceptor",
          "1 26 hydrophobe",
          "1 32 hydrophobe",
          "1 39 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "3 4 5 30 anion",
          "4 21 24 27 28 hydrophobe",
          "6 3 22 23 35 37 38 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 7,
      atom-chiral-def 7,
      atom-chiral-undef 0,
      bond-chiral 5,
      bond-chiral-def 5,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 5
    }
  }
}