PC-Compound ::= {
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            23,
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            300,
            70,
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            137,
            290,
            178,
            125,
            318,
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            10,
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            256,
            115,
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            56,
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            316,
            158,
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            162,
            283,
            81,
            281,
            221,
            105,
            60,
            201,
            212,
            181,
            309,
            39,
            169,
            234,
            59,
            131,
            291,
            93,
            249,
            78,
            120,
            192,
            261,
            139,
            82,
            236,
            272,
            166,
            165,
            92,
            96,
            148,
            326,
            217,
            306,
            86,
            74,
            4,
            244,
            294,
            164,
            295,
            87,
            119,
            190,
            171,
            134,
            258,
            263,
            182,
            235,
            55,
            142,
            200,
            157,
            114,
            216,
            228,
            127,
            144,
            71,
            84,
            101,
            113,
            146,
            122,
            248,
            80,
            226,
            259,
            308,
            288,
            193,
            163,
            43,
            194,
            238,
            211,
            25,
            38,
            292,
            124,
            268,
            159,
            33,
            29,
            176,
            207,
            251,
            13,
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            172,
            53,
            327,
            330,
            170,
            65,
            2,
            275,
            89,
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            46,
            293,
            304,
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            20,
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            243,
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            54,
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            30,
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            26,
            132,
            9,
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            50,
            5,
            21,
            27,
            88,
            49,
            140,
            307,
            36,
            12,
            24
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "55",
        "1 -0.56",
        "10 -0.68",
        "11 -0.36",
        "12 -0.53",
        "13 -0.57",
        "14 -0.36",
        "15 -0.53",
        "16 0.28",
        "17 0.28",
        "18 0.28",
        "19 0.28",
        "2 -0.56",
        "20 0.28",
        "21 0.56",
        "22 0.28",
        "23 0.28",
        "24 0.56",
        "25 0.28",
        "26 0.28",
        "28 0.08",
        "29 -0.15",
        "3 -0.56",
        "30 0.08",
        "31 -0.15",
        "32 0.42",
        "33 0.09",
        "34 0.06",
        "35 0.08",
        "36 0.42",
        "37 -0.14",
        "38 -0.15",
        "39 -0.15",
        "4 -0.68",
        "40 0.08",
        "41 -0.15",
        "42 0.08",
        "43 0.28",
        "5 -0.36",
        "59 0.4",
        "6 -0.68",
        "60 0.4",
        "61 0.4",
        "62 0.4",
        "63 0.4",
        "64 0.4",
        "65 0.15",
        "66 0.15",
        "7 -0.68",
        "70 0.15",
        "71 0.15",
        "72 0.45",
        "73 0.15",
        "74 0.45",
        "8 -0.68",
        "9 -0.68"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.01.18"
      },
      value fval { 1, 10, 1 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "26",
        "1 1 acceptor",
        "1 10 acceptor",
        "1 10 donor",
        "1 11 acceptor",
        "1 12 donor",
        "1 13 acceptor",
        "1 14 acceptor",
        "1 15 donor",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 4 donor",
        "1 5 acceptor",
        "1 6 acceptor",
        "1 6 donor",
        "1 7 acceptor",
        "1 7 donor",
        "1 8 acceptor",
        "1 8 donor",
        "1 9 acceptor",
        "1 9 donor",
        "6 1 16 17 18 19 24 rings",
        "6 11 30 32 33 34 36 rings",
        "6 28 29 30 31 33 35 rings",
        "6 3 20 21 22 23 26 rings",
        "6 37 38 39 40 41 42 rings"
      }
    }
  },
  count {
    heavy-atom 43,
    atom-chiral 11,
    atom-chiral-def 11,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 25
  }
}