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              112,
              201,
              146,
              267,
              173,
              286,
              334,
              123,
              74,
              144,
              287,
              298,
              320,
              281,
              282,
              273,
              111,
              28,
              321,
              135,
              304,
              148,
              33,
              115,
              76,
              21,
              107,
              13,
              211,
              96,
              61,
              318,
              262,
              170,
              43,
              314,
              9,
              45,
              241,
              195,
              167,
              68,
              214,
              225,
              200,
              151,
              307,
              38,
              301,
              254,
              208,
              35,
              40,
              246,
              55,
              149,
              280,
              93,
              264,
              309,
              161,
              63,
              126,
              56,
              42,
              152,
              117,
              162,
              154,
              4,
              242,
              136,
              219,
              53,
              10,
              30,
              64,
              25,
              5,
              259,
              174,
              235,
              41,
              278,
              271,
              95,
              168,
              106,
              92,
              277,
              239,
              103,
              58,
              205,
              23,
              220,
              284,
              84,
              159,
              113,
              142,
              216,
              203,
              293,
              229,
              327,
              50,
              94,
              209,
              12,
              67,
              183,
              37,
              206,
              27,
              160,
              3,
              8,
              326,
              269,
              91,
              297,
              221,
              333,
              212,
              240,
              14,
              2,
              52,
              343,
              244,
              51,
              276,
              48,
              118,
              131,
              6,
              140,
              172,
              19,
              16,
              18,
              69,
              90,
              102,
              312,
              169,
              72,
              120,
              78,
              44,
              257,
              11,
              193,
              143
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "39",
          "1 -0.18",
          "10 0.27",
          "11 0.3",
          "12 0.27",
          "13 0.27",
          "14 0.27",
          "15 0.27",
          "16 -0.14",
          "17 0.3",
          "18 0.28",
          "19 0.27",
          "2 -0.18",
          "20 0.57",
          "21 -0.15",
          "22 -0.15",
          "25 0.2",
          "26 0.18",
          "27 -0.15",
          "28 0.18",
          "29 -0.14",
          "3 -0.56",
          "30 -0.15",
          "31 -0.15",
          "32 -0.14",
          "33 -0.14",
          "34 -0.15",
          "35 0.14",
          "36 0.14",
          "4 -0.57",
          "5 -0.81",
          "58 0.15",
          "59 0.15",
          "6 -0.81",
          "68 0.15",
          "69 0.15",
          "7 -0.66",
          "70 0.15",
          "71 0.15",
          "8 0.42"
        }
      },
      {
        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 { 124, 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 {
          "11",
          "1 3 acceptor",
          "1 37 hydrophobe",
          "1 38 hydrophobe",
          "1 4 acceptor",
          "1 5 cation",
          "1 6 cation",
          "3 19 23 24 hydrophobe",
          "6 16 21 22 26 27 28 rings",
          "6 29 30 31 32 33 34 rings",
          "6 3 7 8 11 17 18 rings",
          "6 5 6 12 13 14 15 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}